3-cyclohexylpropanoyl chloride

C9H15ClO — CID 2734098

IUPAC3-cyclohexylpropanoyl chloride
SMILESO=C(Cl)CCC1CCCCC1
InChIInChI=1S/C9H15ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyJUADTOTVJUYCRQ-UHFFFAOYSA-N
MW174.67 g/mol
LogP3.11
Rot. Bonds3

About 3-cyclohexylpropanoyl chloride

3-cyclohexylpropanoyl chloride (PubChem CID 2734098) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is 3-cyclohexylpropanoyl chloride.

Molecular Properties

Compound Name3-cyclohexylpropanoyl chloride
PubChem CID2734098
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name3-cyclohexylpropanoyl chloride
SMILESO=C(Cl)CCC1CCCCC1
InChIInChI=1S/C9H15ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyJUADTOTVJUYCRQ-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexanoyl chloride
CID 79103
Cyclohexanecarbonyl chloride
CID 75938
1-Methylcyclohexanecarbonyl chloride
CID 4189245
1-(2-Ethylbutyl)cyclohexanecarbonyl chloride
CID 10657125
3-Cyclopentylpropionyl chloride
CID 66039
Cyclohexylacetyl chloride
CID 2757989
Isononanoyl chloride
CID 92654
1,4-Cyclohexanedicarbonyl dichloride
CID 12450688
Cycloheptanecarbonyl chloride
CID 12556870
4-Methylcyclohexane-1-carbonyl chloride
CID 12986357
4,4-Difluorocyclohexane-1-carbonyl chloride
CID 18758310
trans-4-Isopropylcyclohexanecarbonyl chloride
CID 10176455

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropanoyl chloride?
The IUPAC name of 3-cyclohexylpropanoyl chloride (CID 2734098) is 3-cyclohexylpropanoyl chloride.
What is the SMILES notation for 3-cyclohexylpropanoyl chloride?
The canonical SMILES for 3-cyclohexylpropanoyl chloride is O=C(Cl)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropanoyl chloride?
The InChIKey is JUADTOTVJUYCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 3-cyclohexylpropanoyl chloride?
3-cyclohexylpropanoyl chloride has a molecular weight of 174.67 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropanoyl chloride is sourced from PubChem (CID 2734098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).