Mrv0541 02241205432D          

  9  8  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 Al  0  0  0  0  0  3  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    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
  2  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
  7  9  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1528

> <DATABASE_NAME>
t3db

> <SMILES>
CC(C)C[AlH]CC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/2C4H9.Al.H/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;

> <INCHI_KEY>
AZWXAPCAJCYGIA-UHFFFAOYSA-N

> <FORMULA>
C8H19Al

> <MOLECULAR_WEIGHT>
142.218

> <EXACT_MASS>
142.130214049

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
18.362305110317923

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(2-methylpropyl)alumane

> <ALOGPS_LOGP>
4.04

> <JCHEM_LOGP>
3.8228

> <ALOGPS_LOGS>
-4.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
39.485

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.02e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diisobutylaluminium hydride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1528

> <NAME>
Diisobutylaluminium hydride

> <CAS>
1191-15-7

> <SYNONYMS>
Al-alchili; Al-dIIsobutyl; Aluminum, hydrodiisobutyl- (8CI); Bis(isobutyl)hydroaluminum; Dibal-h; DIIsobutylaluminium hydride; DIIsobutylaluminum; DIIsobutylhydroaluminum; Hydrobis(2-methylpropyl)aluminum; HydrodIIsobutylaluminum

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

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