butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin

C13H17ClO3Sn — CID 156662539

IUPACbutyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin
SMILESCCCC[Sn](=O)OC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO2.C4H9.O.Sn/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-3-4-2;;/h1-2,4-5H,3,6H2,(H,11,12);1,3-4H2,2H3;;/q;;;+1/p-1
InChIKeyBZYDJTWCQZEHOL-UHFFFAOYSA-M
MW375.44 g/mol
LogP3.53
Rot. Bonds7

About butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin

butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin (PubChem CID 156662539) has the molecular formula C13H17ClO3Sn and a molecular weight of 375.44 g/mol. Its IUPAC name is butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin.

Molecular Properties

Compound Namebutyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin
PubChem CID156662539
Molecular FormulaC13H17ClO3Sn
Molecular Weight375.44 g/mol
Exact Mass375.99
IUPAC Namebutyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin
SMILESCCCC[Sn](=O)OC(=O)CCc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClO2.C4H9.O.Sn/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-3-4-2;;/h1-2,4-5H,3,6H2,(H,11,12);1,3-4H2,2H3;;/q;;;+1/p-1
InChIKeyBZYDJTWCQZEHOL-UHFFFAOYSA-M
XLogP3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin?
The IUPAC name of butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin (CID 156662539) is butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin.
What is the SMILES notation for butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin?
The canonical SMILES for butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin is CCCC[Sn](=O)OC(=O)CCc1ccc(Cl)cc1.
What is the InChIKey of butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin?
The InChIKey is BZYDJTWCQZEHOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9ClO2.C4H9.O.Sn/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-3-4-2;;/h1-2,4-5H,3,6H2,(H,11,12);1,3-4H2,2H3;;/q;;;+1/p-1.
What are the key properties of butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin?
butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin has a molecular weight of 375.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[3-(4-chlorophenyl)propanoyloxy]-oxotin is sourced from PubChem (CID 156662539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).