2-cyclohexylacetyl chloride

C8H13ClO — CID 2757989

IUPAC2-cyclohexylacetyl chloride
SMILESO=C(Cl)CC1CCCCC1
InChIInChI=1S/C8H13ClO/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyVABYVFZVTIDNOA-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.72
Rot. Bonds2

About 2-cyclohexylacetyl chloride

2-cyclohexylacetyl chloride (PubChem CID 2757989) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 2-cyclohexylacetyl chloride.

Molecular Properties

Compound Name2-cyclohexylacetyl chloride
PubChem CID2757989
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name2-cyclohexylacetyl chloride
SMILESO=C(Cl)CC1CCCCC1
InChIInChI=1S/C8H13ClO/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyVABYVFZVTIDNOA-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.72
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
3-Cyclopentylpropionyl chloride
CID 66039
1-Methylcyclohexanecarbonyl chloride
CID 4189245
Isononanoyl chloride
CID 92654
Cyclohexylpropionyl chloride
CID 2734098
1-(2-Ethylbutyl)cyclohexanecarbonyl chloride
CID 10657125
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 2-cyclohexylacetyl chloride?
The IUPAC name of 2-cyclohexylacetyl chloride (CID 2757989) is 2-cyclohexylacetyl chloride.
What is the SMILES notation for 2-cyclohexylacetyl chloride?
The canonical SMILES for 2-cyclohexylacetyl chloride is O=C(Cl)CC1CCCCC1.
What is the InChIKey of 2-cyclohexylacetyl chloride?
The InChIKey is VABYVFZVTIDNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 2-cyclohexylacetyl chloride?
2-cyclohexylacetyl chloride has a molecular weight of 160.64 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylacetyl chloride is sourced from PubChem (CID 2757989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).