Mrv1572004161621582D          

 10  6  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
    4.8321    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857   -2.3645    0.0000 Sn  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
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  RAD  2   1   2   5   2
M  END
> <DATABASE_ID>
CHEM001080

> <DATABASE_NAME>
chemdb

> <SMILES>
O.[Sn].[CH2]CCC.[CH2]CCC

> <INCHI_IDENTIFIER>
InChI=1S/2C4H9.H2O.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;1H2;

> <INCHI_KEY>
ZJZNROHPJQCEMV-UHFFFAOYSA-N

> <FORMULA>
C8H20OSn

> <MOLECULAR_WEIGHT>
250.957

> <EXACT_MASS>
252.053617

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
7.9910330477349065

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dibutyltin oxide

> <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>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.12e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dibutyltin oxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1259

> <NAME>
Dibutyltin oxide

> <CAS>
818-08-6

> <SYNONYMS>
Di-n-butyltin oxide; Dibutyl(oxo)stannane; Dibutyloxide of tin; Dibutyloxostannane; Dibutyloxotin; Dibutylstannane oxide; Dibutylstannium oxide; Dibutyltin(IV) oxide; Stannane, dibutyloxo-; Tin, dibutyl-, oxide

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

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