4-chloro-1,6-dimethylcyclohexene

C8H13Cl — CID 143462672

IUPAC4-chloro-1,6-dimethylcyclohexene
SMILESCC1=CCC(Cl)CC1C
InChIInChI=1S/C8H13Cl/c1-6-3-4-8(9)5-7(6)2/h3,7-8H,4-5H2,1-2H3
InChIKeyXYFZIVYXBWRGFZ-UHFFFAOYSA-N
MW144.64 g/mol
LogP2.97
Rot. Bonds

About 4-chloro-1,6-dimethylcyclohexene

4-chloro-1,6-dimethylcyclohexene (PubChem CID 143462672) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 4-chloro-1,6-dimethylcyclohexene.

Molecular Properties

Compound Name4-chloro-1,6-dimethylcyclohexene
PubChem CID143462672
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name4-chloro-1,6-dimethylcyclohexene
SMILESCC1=CCC(Cl)CC1C
InChIInChI=1S/C8H13Cl/c1-6-3-4-8(9)5-7(6)2/h3,7-8H,4-5H2,1-2H3
InChIKeyXYFZIVYXBWRGFZ-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1,4,7-trimethylcycloheptene
CID 123852722
1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene
CID 91536176
2,5-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174601075
4,6-dichloro-1-propan-2-ylcyclohexene
CID 129040890
4,5-dimethylcyclohept-3-ene-1-carbaldehyde
CID 143847275
(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11789656
(6R)-1,3,4,6-tetramethylcyclohexene
CID 173301775
(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene
CID 163581000
1,7-dimethylcycloheptene
CID 13493194
2-chloro-1-(6-chloro-4-methylcyclohexen-1-yl)ethanone
CID 118153188
(4S)-3,4-dimethylcyclopent-2-en-1-one
CID 86310528
4-methylbicyclo[4.2.0]oct-1-ene
CID 145440699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,6-dimethylcyclohexene?
The IUPAC name of 4-chloro-1,6-dimethylcyclohexene (CID 143462672) is 4-chloro-1,6-dimethylcyclohexene.
What is the SMILES notation for 4-chloro-1,6-dimethylcyclohexene?
The canonical SMILES for 4-chloro-1,6-dimethylcyclohexene is CC1=CCC(Cl)CC1C.
What is the InChIKey of 4-chloro-1,6-dimethylcyclohexene?
The InChIKey is XYFZIVYXBWRGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-6-3-4-8(9)5-7(6)2/h3,7-8H,4-5H2,1-2H3.
What are the key properties of 4-chloro-1,6-dimethylcyclohexene?
4-chloro-1,6-dimethylcyclohexene has a molecular weight of 144.64 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,6-dimethylcyclohexene is sourced from PubChem (CID 143462672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).