1-chloro-2-methylcyclohexene

C7H11Cl — CID 565361

IUPAC1-chloro-2-methylcyclohexene
SMILESCC1=C(Cl)CCCC1
InChIInChI=1S/C7H11Cl/c1-6-4-2-3-5-7(6)8/h2-5H2,1H3
InChIKeyDZIYMXLYTUVIQE-UHFFFAOYSA-N
MW130.62 g/mol
LogP3.07
Rot. Bonds

About 1-chloro-2-methylcyclohexene

1-chloro-2-methylcyclohexene (PubChem CID 565361) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 1-chloro-2-methylcyclohexene.

Molecular Properties

Compound Name1-chloro-2-methylcyclohexene
PubChem CID565361
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name1-chloro-2-methylcyclohexene
SMILESCC1=C(Cl)CCCC1
InChIInChI=1S/C7H11Cl/c1-6-4-2-3-5-7(6)8/h2-5H2,1H3
InChIKeyDZIYMXLYTUVIQE-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Chloro-1-fluoro-2-methylcyclohexene
CID 134534579
1-Chloro-2-(fluoromethyl)cyclohexene
CID 166984241
3-Chloro-2-fluoro-1-methylcyclohexene
CID 167190783
4,4-Dichloro-1,2-dimethylcyclopentene
CID 13433963
3-Chloro-2-methylhept-2-ene
CID 12550096
1-Chloro-2-(chloromethyl)cyclohex-1-ene
CID 12611394
(e)-4-Chloro-5-ethyloct-4-ene
CID 125476371
(e)-6-Chloro-5-methyldec-5-ene
CID 125476651
Dichlorodimethylcyclohexene
CID 129802806
4-Chloro-1,2-dimethylcyclopentene
CID 13433964
1-(Chloromethyl)-2-methylcyclopentene
CID 55301921
1-Chloro-2-methylcyclopentene
CID 12611388

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylcyclohexene?
The IUPAC name of 1-chloro-2-methylcyclohexene (CID 565361) is 1-chloro-2-methylcyclohexene.
What is the SMILES notation for 1-chloro-2-methylcyclohexene?
The canonical SMILES for 1-chloro-2-methylcyclohexene is CC1=C(Cl)CCCC1.
What is the InChIKey of 1-chloro-2-methylcyclohexene?
The InChIKey is DZIYMXLYTUVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c1-6-4-2-3-5-7(6)8/h2-5H2,1H3.
What are the key properties of 1-chloro-2-methylcyclohexene?
1-chloro-2-methylcyclohexene has a molecular weight of 130.62 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylcyclohexene is sourced from PubChem (CID 565361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).