Mrv0541 02241205432D          

  7  6  0  0  0  0            999 V2000
    1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Zn  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
    1.2375   -0.7145    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1467

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2C3H7.Zn/c2*1-3-2;/h2*3H,1-2H3;

> <INCHI_KEY>
KDUNMLRPPVCIGP-UHFFFAOYSA-N

> <FORMULA>
C6H14Zn

> <MOLECULAR_WEIGHT>
151.584

> <EXACT_MASS>
150.038697026

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
14.28583519111458

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(propan-2-yl)zinc

> <ALOGPS_LOGP>
3.05

> <JCHEM_LOGP>
1.7228

> <ALOGPS_LOGS>
-1.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
29.629800000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.11e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diisopropylzinc

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1467

> <NAME>
Diisopropylzinc

> <CAS>
625-81-0

> <SYNONYMS>
3,9-Dihydroxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one; 7,12-Dihydroxycoumestan; Chrysanthin

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

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