2-chloro-1-(2-ethenylcyclohexyl)ethanone

C10H15ClO — CID 12579604

IUPAC2-chloro-1-(2-ethenylcyclohexyl)ethanone
SMILESC=CC1CCCCC1C(=O)CCl
InChIInChI=1S/C10H15ClO/c1-2-8-5-3-4-6-9(8)10(12)7-11/h2,8-9H,1,3-7H2
InChIKeyVALWHEPJEHHTGV-UHFFFAOYSA-N
MW186.68 g/mol
LogP2.79
Rot. Bonds3

About 2-chloro-1-(2-ethenylcyclohexyl)ethanone

2-chloro-1-(2-ethenylcyclohexyl)ethanone (PubChem CID 12579604) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is 2-chloro-1-(2-ethenylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-ethenylcyclohexyl)ethanone
PubChem CID12579604
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name2-chloro-1-(2-ethenylcyclohexyl)ethanone
SMILESC=CC1CCCCC1C(=O)CCl
InChIInChI=1S/C10H15ClO/c1-2-8-5-3-4-6-9(8)10(12)7-11/h2,8-9H,1,3-7H2
InChIKeyVALWHEPJEHHTGV-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-ethenylcyclohexyl)ethanone?
The IUPAC name of 2-chloro-1-(2-ethenylcyclohexyl)ethanone (CID 12579604) is 2-chloro-1-(2-ethenylcyclohexyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-ethenylcyclohexyl)ethanone?
The canonical SMILES for 2-chloro-1-(2-ethenylcyclohexyl)ethanone is C=CC1CCCCC1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(2-ethenylcyclohexyl)ethanone?
The InChIKey is VALWHEPJEHHTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO/c1-2-8-5-3-4-6-9(8)10(12)7-11/h2,8-9H,1,3-7H2.
What are the key properties of 2-chloro-1-(2-ethenylcyclohexyl)ethanone?
2-chloro-1-(2-ethenylcyclohexyl)ethanone has a molecular weight of 186.68 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-ethenylcyclohexyl)ethanone is sourced from PubChem (CID 12579604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).