CID 171374935

C5H10Cl3O2Sn-3 — CID 171374935

IUPAC—
SMILESCCCC(=O)OC.[Cl-].[Cl-].[Cl-].[Sn]
InChIInChI=1S/C5H10O2.3ClH.Sn/c1-3-4-5(6)7-2;;;;/h3-4H2,1-2H3;3*1H;/p-3
InChIKeyKNIQEOVPKVTEPN-UHFFFAOYSA-K
MW327.20 g/mol
LogP-8.41
Rot. Bonds2

About CID 171374935

CID 171374935 (PubChem CID 171374935) has the molecular formula C5H10Cl3O2Sn-3 and a molecular weight of 327.20 g/mol.

Molecular Properties

Compound NameCID 171374935
PubChem CID171374935
Molecular FormulaC5H10Cl3O2Sn-3
Molecular Weight327.20 g/mol
Exact Mass326.88
IUPAC Name—
SMILESCCCC(=O)OC.[Cl-].[Cl-].[Cl-].[Sn]
InChIInChI=1S/C5H10O2.3ClH.Sn/c1-3-4-5(6)7-2;;;;/h3-4H2,1-2H3;3*1H;/p-3
InChIKeyKNIQEOVPKVTEPN-UHFFFAOYSA-K
XLogP-8.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 5-8.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 171374935 with MolForge

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

Launch Full Analysis

Related Compounds

chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
butan-2-ol;methyl butanoate;hydrochloride
CID 157406696
2,3-dihydroxybutanedioic acid;methyl butanoate
CID 174661800
dibutanoyl butanedioate
CID 88643975
2-hydroxyethyl(trimethyl)azanium;methyl butanoate
CID 174782321
methyl butanoate;2-methylbutanoic acid
CID 87240757
ethyl hydrogen sulfate;methyl butanoate
CID 87354898
sodium;butanoyl butanoate;hydride
CID 173362700
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
hydrazine;methyl pentanoate
CID 88709772

Frequently Asked Questions

What is the IUPAC name of CID 171374935?
The IUPAC name of CID 171374935 (CID 171374935) is not available.
What is the SMILES notation for CID 171374935?
The canonical SMILES for CID 171374935 is CCCC(=O)OC.[Cl-].[Cl-].[Cl-].[Sn].
What is the InChIKey of CID 171374935?
The InChIKey is KNIQEOVPKVTEPN-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H10O2.3ClH.Sn/c1-3-4-5(6)7-2;;;;/h3-4H2,1-2H3;3*1H;/p-3.
What are the key properties of CID 171374935?
CID 171374935 has a molecular weight of 327.20 g/mol, XLogP of -8.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171374935 is sourced from PubChem (CID 171374935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).