2,2-dichloro-1-cyclohex-2-en-1-ylethanone

C8H10Cl2O — CID 57016024

IUPAC2,2-dichloro-1-cyclohex-2-en-1-ylethanone
SMILESO=C(C(Cl)Cl)C1C=CCCC1
InChIInChI=1S/C8H10Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h2,4,6,8H,1,3,5H2
InChIKeyXXKAQZZRCUAXAW-UHFFFAOYSA-N
MW193.07 g/mol
LogP2.72
Rot. Bonds2

About 2,2-dichloro-1-cyclohex-2-en-1-ylethanone

2,2-dichloro-1-cyclohex-2-en-1-ylethanone (PubChem CID 57016024) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 2,2-dichloro-1-cyclohex-2-en-1-ylethanone.

Molecular Properties

Compound Name2,2-dichloro-1-cyclohex-2-en-1-ylethanone
PubChem CID57016024
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name2,2-dichloro-1-cyclohex-2-en-1-ylethanone
SMILESO=C(C(Cl)Cl)C1C=CCCC1
InChIInChI=1S/C8H10Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h2,4,6,8H,1,3,5H2
InChIKeyXXKAQZZRCUAXAW-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 52.72
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

cyclohex-2-ene-1-carboxylate
CID 21218503
di(cyclohex-2-en-1-yl)methanone
CID 12625750
2-chloro-1-cyclohex-2-en-1-ylethanone
CID 141466272
CID 173230696
CID 173230696
alumane;cyclohex-2-ene-1-carboxylic acid
CID 173230504
cyclohept-2-ene-1-carboxylic acid
CID 10606834
(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione
CID 102390759
N-ethylcyclohex-2-ene-1-carboxamide
CID 130738610
1-acetyloxyethyl cyclohex-2-ene-1-carboxylate
CID 142208667
N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide
CID 130615147
2-cyclohex-2-en-1-ylpropanedioic acid
CID 12510753
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-cyclohex-2-en-1-ylethanone?
The IUPAC name of 2,2-dichloro-1-cyclohex-2-en-1-ylethanone (CID 57016024) is 2,2-dichloro-1-cyclohex-2-en-1-ylethanone.
What is the SMILES notation for 2,2-dichloro-1-cyclohex-2-en-1-ylethanone?
The canonical SMILES for 2,2-dichloro-1-cyclohex-2-en-1-ylethanone is O=C(C(Cl)Cl)C1C=CCCC1.
What is the InChIKey of 2,2-dichloro-1-cyclohex-2-en-1-ylethanone?
The InChIKey is XXKAQZZRCUAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h2,4,6,8H,1,3,5H2.
What are the key properties of 2,2-dichloro-1-cyclohex-2-en-1-ylethanone?
2,2-dichloro-1-cyclohex-2-en-1-ylethanone has a molecular weight of 193.07 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 2,2-dichloro-1-cyclohex-2-en-1-ylethanone is sourced from PubChem (CID 57016024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).