Mrv0541 02241205072D          

 17 16  0  0  0  0            999 V2000
    4.1474    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377   -0.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3077   -1.4289    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    6.5778   -2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3879   -2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6580   -3.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4681   -3.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282   -1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046   -1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014   -0.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0873   -1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7109   -1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4905   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1141   -1.9690    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
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 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
M  END
> <DATABASE_ID>
T3D1248

> <DATABASE_NAME>
t3db

> <SMILES>
CCCC[Sn](CCCC)(CCCC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;

> <INCHI_KEY>
AFCAKJKUYFLYFK-UHFFFAOYSA-N

> <FORMULA>
C16H36Sn

> <MOLECULAR_WEIGHT>
347.17

> <EXACT_MASS>
348.183897723

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
35.0667915821426

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrabutylstannane

> <ALOGPS_LOGP>
8.19

> <JCHEM_LOGP>
7.9216

> <ALOGPS_LOGS>
-5.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
77.88759999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.89e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrabutyltin

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1248

> <NAME>
Tetrabutyltin

> <CAS>
1461-25-2

> <SYNONYMS>
Tetra-n-butyltin; Tetrabutylstannane; Tin tetrabutyl

> <TYPES>
Organic Compound; Pesticide; Tin Compound; Organometallic; Synthetic Compound

$$$$