Mrv0541 02241205162D          

 17 16  0  0  0  0            999 V2000
    3.5014    0.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046    1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3077    1.4289    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    7.0873    1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7109    1.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4905    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1141    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    0.6494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5778    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3879    0.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3077   -0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5778    2.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    2.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276    2.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3077    3.6117    0.0000 O   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
  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
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1282

> <DATABASE_NAME>
t3db

> <SMILES>
CCCC[Sn](CCCC)(OC(C)=O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2

> <INCHI_KEY>
JJLKTTCRRLHVGL-UHFFFAOYSA-L

> <FORMULA>
C12H24O4Sn

> <MOLECULAR_WEIGHT>
351.03

> <EXACT_MASS>
352.069655827

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
29.03036182293844

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(acetyloxy)dibutylstannyl acetate

> <ALOGPS_LOGP>
3.50

> <JCHEM_LOGP>
0.5840000000000005

> <ALOGPS_LOGS>
-2.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.385828775456316

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
62.90480000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.35e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
di-n-butyl tin diacetate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1282

> <NAME>
Dibutyltin diacetate

> <CAS>
1067-33-0

> <SYNONYMS>
Bis(acetato)dibutyltin; Bis(acetyloxy)(dibutyl)stannane; Bis(acetyloxy)dibutylstannane; Di-n-butyldiacetoxytin; Di-n-butyltin diacetate; Diacetoxybutyltin; Diacetoxydibutlyltin; Diacetoxydibutylstannane; Diacetoxydibutyltin; Dibutly tin diacetate; Dibutyl tin diacetate; Dibutyldiacetoxystannane; Dibutylstannium diacetate; Dibutyltin acetate; Dibutyltin di(acetate); Dibutyltin diacetic acid; Tin, dibutyl-, diacetate

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

$$$$