[bis(4-chlorophenyl)-cyclohexylstannyl] acetate

C20H22Cl2O2Sn — CID 16695614

IUPAC[bis(4-chlorophenyl)-cyclohexylstannyl] acetate
SMILESCC(=O)O[Sn](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/2C6H4Cl.C6H11.C2H4O2.Sn/c2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2(3)4;/h2*2-5H;1H,2-6H2;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyDOZOGJWTVJJIRM-UHFFFAOYSA-M
MW484.01 g/mol
LogP4.95
Rot. Bonds4

About [bis(4-chlorophenyl)-cyclohexylstannyl] acetate

[bis(4-chlorophenyl)-cyclohexylstannyl] acetate (PubChem CID 16695614) has the molecular formula C20H22Cl2O2Sn and a molecular weight of 484.01 g/mol. Its IUPAC name is [bis(4-chlorophenyl)-cyclohexylstannyl] acetate.

Molecular Properties

Compound Name[bis(4-chlorophenyl)-cyclohexylstannyl] acetate
PubChem CID16695614
Molecular FormulaC20H22Cl2O2Sn
Molecular Weight484.01 g/mol
Exact Mass484.00
IUPAC Name[bis(4-chlorophenyl)-cyclohexylstannyl] acetate
SMILESCC(=O)O[Sn](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/2C6H4Cl.C6H11.C2H4O2.Sn/c2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2(3)4;/h2*2-5H;1H,2-6H2;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyDOZOGJWTVJJIRM-UHFFFAOYSA-M
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.01
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [bis(4-chlorophenyl)-cyclohexylstannyl] acetate?
The IUPAC name of [bis(4-chlorophenyl)-cyclohexylstannyl] acetate (CID 16695614) is [bis(4-chlorophenyl)-cyclohexylstannyl] acetate.
What is the SMILES notation for [bis(4-chlorophenyl)-cyclohexylstannyl] acetate?
The canonical SMILES for [bis(4-chlorophenyl)-cyclohexylstannyl] acetate is CC(=O)O[Sn](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of [bis(4-chlorophenyl)-cyclohexylstannyl] acetate?
The InChIKey is DOZOGJWTVJJIRM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H4Cl.C6H11.C2H4O2.Sn/c2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2(3)4;/h2*2-5H;1H,2-6H2;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of [bis(4-chlorophenyl)-cyclohexylstannyl] acetate?
[bis(4-chlorophenyl)-cyclohexylstannyl] acetate has a molecular weight of 484.01 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-chlorophenyl)-cyclohexylstannyl] acetate is sourced from PubChem (CID 16695614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).