6-chloro-1-methylcyclohexene

C7H11Cl — CID 12550098

IUPAC6-chloro-1-methylcyclohexene
SMILESCC1=CCCCC1Cl
InChIInChI=1S/C7H11Cl/c1-6-4-2-3-5-7(6)8/h4,7H,2-3,5H2,1H3
InChIKeyXMJIBKVEZIDUCU-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.72
Rot. Bonds

About 6-chloro-1-methylcyclohexene

6-chloro-1-methylcyclohexene (PubChem CID 12550098) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 6-chloro-1-methylcyclohexene.

Molecular Properties

Compound Name6-chloro-1-methylcyclohexene
PubChem CID12550098
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name6-chloro-1-methylcyclohexene
SMILESCC1=CCCCC1Cl
InChIInChI=1S/C7H11Cl/c1-6-4-2-3-5-7(6)8/h4,7H,2-3,5H2,1H3
InChIKeyXMJIBKVEZIDUCU-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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

4-Chlorocyclohexene
CID 13592
3-Chlorocyclohexene
CID 17120
(2E,6Z)-1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 13992506
(3S,5S,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630816
(3S,5R,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630817
1,3-Dichlorocyclohexene
CID 20523448
1-(Chloromethyl)-4-prop-1-en-2-ylcyclohexene
CID 11105804
Cyclohexene, 1-(chloromethyl)-
CID 11974168
1-(Chloromethyl)cyclopent-1-ene
CID 12914389
3-Chloro-1-methylcyclohex-1-ene
CID 13741597
4-(2-Chloro-ethylidene)-heptane
CID 24974624
(e)-1-(Chloromethyl)cyclohept-1-ene
CID 55303728

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylcyclohexene?
The IUPAC name of 6-chloro-1-methylcyclohexene (CID 12550098) is 6-chloro-1-methylcyclohexene.
What is the SMILES notation for 6-chloro-1-methylcyclohexene?
The canonical SMILES for 6-chloro-1-methylcyclohexene is CC1=CCCCC1Cl.
What is the InChIKey of 6-chloro-1-methylcyclohexene?
The InChIKey is XMJIBKVEZIDUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c1-6-4-2-3-5-7(6)8/h4,7H,2-3,5H2,1H3.
What are the key properties of 6-chloro-1-methylcyclohexene?
6-chloro-1-methylcyclohexene has a molecular weight of 130.62 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylcyclohexene is sourced from PubChem (CID 12550098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).