1-(chloromethyl)cyclohexene

C7H11Cl — CID 11974168

IUPAC1-(chloromethyl)cyclohexene
SMILESClCC1=CCCCC1
InChIInChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyPZCCSJYFXQXAST-UHFFFAOYSA-N
MW130.62 g/mol
LogP2.73
Rot. Bonds1

About 1-(chloromethyl)cyclohexene

1-(chloromethyl)cyclohexene (PubChem CID 11974168) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 1-(chloromethyl)cyclohexene.

Molecular Properties

Compound Name1-(chloromethyl)cyclohexene
PubChem CID11974168
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name1-(chloromethyl)cyclohexene
SMILESClCC1=CCCCC1
InChIInChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyPZCCSJYFXQXAST-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)cyclohexene?
The IUPAC name of 1-(chloromethyl)cyclohexene (CID 11974168) is 1-(chloromethyl)cyclohexene.
What is the SMILES notation for 1-(chloromethyl)cyclohexene?
The canonical SMILES for 1-(chloromethyl)cyclohexene is ClCC1=CCCCC1.
What is the InChIKey of 1-(chloromethyl)cyclohexene?
The InChIKey is PZCCSJYFXQXAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2.
What are the key properties of 1-(chloromethyl)cyclohexene?
1-(chloromethyl)cyclohexene has a molecular weight of 130.62 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)cyclohexene is sourced from PubChem (CID 11974168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).