Mrv0541 02241204132D          

 37 36  0  0  0  0            999 V2000
   14.1355    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802    8.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947    9.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092    8.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    8.5737    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   23.8362    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8362    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0112    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237   10.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0112   10.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237   11.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    8.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1283

> <DATABASE_NAME>
t3db

> <SMILES>
CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/2C12H24O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2

> <INCHI_KEY>
UKLDJPRMSDWDSL-UHFFFAOYSA-L

> <FORMULA>
C32H64O4Sn

> <MOLECULAR_WEIGHT>
631.56

> <EXACT_MASS>
632.382657107

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
71.04398071310096

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dibutyl(dodecanoyloxy)stannyl dodecanoate

> <ALOGPS_LOGP>
9.61

> <JCHEM_LOGP>
8.9738

> <ALOGPS_LOGS>
-7.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.424490043204705

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
154.9766

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.62e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dibutyltin dilaurate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1283

> <NAME>
Dibutyltin dilaurate

> <CAS>
77-58-7

> <SYNONYMS>
Bis(lauroyloxy)di(n-butyl)stannane; Di-n-butylin dilaurate; Di-n-butyltin dilaurate; Dibutylbis(1-oxododecyl)oxy)stannane; Dibutylbis(laurato)tin; Dibutylbis(lauroxy)stannane; Dibutylbis(lauroyloxy)tin; Dibutylstannium dilaurate; Dibutylstannylene dilaurate; Dibutyltin didodecanoate; Dibutyltin dilauric acid; Dibutyltin laurate; Dibutyltin n-dodecanoate; Lauric acid, dibutylstannylene deriv; Lauric acid, dibutylstannylene salt; Lauric acid, dibutyltin deriv; Laustan-b; Stanclere DBTL; Stannane, bis(dodecanoyloxy)di-n-butyl; Tin dibutyl dilaurate

> <TYPES>
Organic Compound; Tin Compound; Organometallic; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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