2-cyclohexylpropanoyl chloride

C9H15ClO — CID 3016042

IUPAC2-cyclohexylpropanoyl chloride
SMILESCC(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C9H15ClO/c1-7(9(10)11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyPKMNGKFRWLFMOH-UHFFFAOYSA-N
MW174.67 g/mol
LogP2.97
Rot. Bonds2

About 2-cyclohexylpropanoyl chloride

2-cyclohexylpropanoyl chloride (PubChem CID 3016042) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 2-cyclohexylpropanoyl chloride.

Molecular Properties

Compound Name2-cyclohexylpropanoyl chloride
PubChem CID3016042
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name2-cyclohexylpropanoyl chloride
SMILESCC(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C9H15ClO/c1-7(9(10)11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyPKMNGKFRWLFMOH-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-cyclohexylpropanoyl chloride 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

2-cyclopentylpropanoyl chloride
CID 18426767
2-cyclohexyl-4-methylpentan-3-one
CID 14086898
3-cyclohexyl-2-oxobutanoic acid
CID 13391916
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
2,3-bis(1-cyclohexylethyl)but-2-enedioic acid
CID 67547723
2-cyclohexyl-2-hydroxyacetyl chloride
CID 87847920
lithium;2-cyclohexylpropanamide;hydride
CID 173193796
CID 89276042
CID 89276042
2-cyclohexyl-N-methylpropanamide;ethane
CID 143855673
2,4-dicyclohexylpentan-3-ylidenezirconium(2+)
CID 23078765
1-cyclopentylethylcyclohexane
CID 57034702
2-cyclohexyl-N-methylpropanehydrazide
CID 116845848

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropanoyl chloride?
The IUPAC name of 2-cyclohexylpropanoyl chloride (CID 3016042) is 2-cyclohexylpropanoyl chloride.
What is the SMILES notation for 2-cyclohexylpropanoyl chloride?
The canonical SMILES for 2-cyclohexylpropanoyl chloride is CC(C(=O)Cl)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropanoyl chloride?
The InChIKey is PKMNGKFRWLFMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO/c1-7(9(10)11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-cyclohexylpropanoyl chloride?
2-cyclohexylpropanoyl chloride has a molecular weight of 174.67 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropanoyl chloride is sourced from PubChem (CID 3016042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).