Mrv0541 02241205172D          

  7  6  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1338

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2C2H5.2CH3.Pb/c2*1-2;;;/h2*1H2,2H3;2*1H3;

> <INCHI_KEY>
OLOAJSHVLXNSQV-UHFFFAOYSA-N

> <FORMULA>
C6H16Pb

> <MOLECULAR_WEIGHT>
295.4

> <EXACT_MASS>
296.101836362

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
14.879071081292382

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diethyldimethylplumbane

> <ALOGPS_LOGP>
2.52

> <JCHEM_LOGP>
1.4720000000000006

> <ALOGPS_LOGS>
-1.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
31.792

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.37e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethyl diethyl lead

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1338

> <NAME>
Diethyldimethyl lead

> <CAS>
1762-27-2

> <SYNONYMS>
Diethyldimethyllead; Diethyldimethylplumbane; Dimethyldiethyllead

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

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