2-chloro-1-cyclohex-2-en-1-ylethanone

C8H11ClO — CID 141466272

IUPAC2-chloro-1-cyclohex-2-en-1-ylethanone
SMILESO=C(CCl)C1C=CCCC1
InChIInChI=1S/C8H11ClO/c9-6-8(10)7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKeySHKXCCOVVPHNJU-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.15
Rot. Bonds2

About 2-chloro-1-cyclohex-2-en-1-ylethanone

2-chloro-1-cyclohex-2-en-1-ylethanone (PubChem CID 141466272) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 2-chloro-1-cyclohex-2-en-1-ylethanone.

Molecular Properties

Compound Name2-chloro-1-cyclohex-2-en-1-ylethanone
PubChem CID141466272
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name2-chloro-1-cyclohex-2-en-1-ylethanone
SMILESO=C(CCl)C1C=CCCC1
InChIInChI=1S/C8H11ClO/c9-6-8(10)7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2
InChIKeySHKXCCOVVPHNJU-UHFFFAOYSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.15
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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Related Compounds

di(cyclohex-2-en-1-yl)methanone
CID 12625750
CID 173230696
CID 173230696
cyclohex-2-ene-1-carboxylate
CID 21218503
alumane;cyclohex-2-ene-1-carboxylic acid
CID 173230504
2,2-dichloro-1-cyclohex-2-en-1-ylethanone
CID 57016024
cyclohept-2-ene-1-carboxylic acid
CID 10606834
N-ethylcyclohex-2-ene-1-carboxamide
CID 130738610
(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione
CID 102390759
N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide
CID 130615147
N-benzylcyclohex-2-ene-1-carboxamide
CID 134888481
2-cyclohex-2-en-1-yl-1-cyclopentylethanone
CID 114620361
1-acetyloxyethyl cyclohex-2-ene-1-carboxylate
CID 142208667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclohex-2-en-1-ylethanone?
The IUPAC name of 2-chloro-1-cyclohex-2-en-1-ylethanone (CID 141466272) is 2-chloro-1-cyclohex-2-en-1-ylethanone.
What is the SMILES notation for 2-chloro-1-cyclohex-2-en-1-ylethanone?
The canonical SMILES for 2-chloro-1-cyclohex-2-en-1-ylethanone is O=C(CCl)C1C=CCCC1.
What is the InChIKey of 2-chloro-1-cyclohex-2-en-1-ylethanone?
The InChIKey is SHKXCCOVVPHNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c9-6-8(10)7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2.
What are the key properties of 2-chloro-1-cyclohex-2-en-1-ylethanone?
2-chloro-1-cyclohex-2-en-1-ylethanone has a molecular weight of 158.63 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclohex-2-en-1-ylethanone is sourced from PubChem (CID 141466272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).