1-chloro-2-(chloromethyl)cyclohexene

C7H10Cl2 — CID 12611394

IUPAC1-chloro-2-(chloromethyl)cyclohexene
SMILESClCC1=C(Cl)CCCC1
InChIInChI=1S/C7H10Cl2/c8-5-6-3-1-2-4-7(6)9/h1-5H2
InChIKeyQFSIYBKKWWBIRL-UHFFFAOYSA-N
MW165.06 g/mol
LogP3.29
Rot. Bonds1

About 1-chloro-2-(chloromethyl)cyclohexene

1-chloro-2-(chloromethyl)cyclohexene (PubChem CID 12611394) has the molecular formula C7H10Cl2 and a molecular weight of 165.06 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)cyclohexene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)cyclohexene
PubChem CID12611394
Molecular FormulaC7H10Cl2
Molecular Weight165.06 g/mol
Exact Mass164.02
IUPAC Name1-chloro-2-(chloromethyl)cyclohexene
SMILESClCC1=C(Cl)CCCC1
InChIInChI=1S/C7H10Cl2/c8-5-6-3-1-2-4-7(6)9/h1-5H2
InChIKeyQFSIYBKKWWBIRL-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.06
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Chloro-2-methylcyclohexene
CID 565361
Cyclohexene, 1-(chloromethyl)-
CID 11974168
3-Chloro-1-methylcyclohex-1-ene
CID 13741597
6-Chloro-1-methylcyclohexene
CID 12550098
3-Chloro-1-fluoro-2-methylcyclohexene
CID 134534579
3-Chloro-2-fluoro-1-methylcyclohexene
CID 167190783
1-Chloro-2-(chloromethyl)cyclopentene
CID 12632714
1-Chloro-2-(chloromethyl)cycloheptene
CID 12632717
(3R)-3-chloro-1-methylcyclohexene
CID 129371388
(3S)-3-chloro-1-methylcyclohexene
CID 129371389
trans-4,5-Dichlor-1,2-dimethylcyclohexen
CID 129655447
4-Chloro-1,2-dimethylcyclopentene
CID 13433964

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)cyclohexene?
The IUPAC name of 1-chloro-2-(chloromethyl)cyclohexene (CID 12611394) is 1-chloro-2-(chloromethyl)cyclohexene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)cyclohexene?
The canonical SMILES for 1-chloro-2-(chloromethyl)cyclohexene is ClCC1=C(Cl)CCCC1.
What is the InChIKey of 1-chloro-2-(chloromethyl)cyclohexene?
The InChIKey is QFSIYBKKWWBIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2/c8-5-6-3-1-2-4-7(6)9/h1-5H2.
What are the key properties of 1-chloro-2-(chloromethyl)cyclohexene?
1-chloro-2-(chloromethyl)cyclohexene has a molecular weight of 165.06 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)cyclohexene is sourced from PubChem (CID 12611394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).