Mrv1572004191602382D          

  5  3  0  0  0  0            999 V2000
    0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
M  RAD  1   1   2
M  END
> <DATABASE_ID>
CHEM009286

> <DATABASE_NAME>
chemdb

> <SMILES>
[Li].[CH2]CCC

> <INCHI_IDENTIFIER>
InChI=1S/C4H9.Li/c1-3-4-2;/h1,3-4H2,2H3;

> <INCHI_KEY>
MZRVEZGGRBJDDB-UHFFFAOYSA-N

> <FORMULA>
C4H9Li

> <MOLECULAR_WEIGHT>
64.06

> <EXACT_MASS>
64.08642873

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
7.9910330477349065

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
butyl lithium

> <ALOGPS_LOGP>
2.81

> <JCHEM_LOGP>
2.1095

> <ALOGPS_LOGS>
-1.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
19.114

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.12e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
monobutyl lithium

> <JCHEM_VEBER_RULE>
1

> <NAME>
Butyllithium

> <CAS>
109-72-8

> <SYNONYMS>
Kieselguhr, soda ash flux-calcined

$$$$