1-(1-chloroethyl)cyclohexene

C8H13Cl — CID 14174891

IUPAC1-(1-chloroethyl)cyclohexene
SMILESCC(Cl)C1=CCCCC1
InChIInChI=1S/C8H13Cl/c1-7(9)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3
InChIKeyMUWFZWQECZEZBL-UHFFFAOYSA-N
MW144.65 g/mol
LogP3.11
Rot. Bonds1

About 1-(1-chloroethyl)cyclohexene

1-(1-chloroethyl)cyclohexene (PubChem CID 14174891) has the molecular formula C8H13Cl and a molecular weight of 144.65 g/mol. Its IUPAC name is 1-(1-chloroethyl)cyclohexene.

Molecular Properties

Compound Name1-(1-chloroethyl)cyclohexene
PubChem CID14174891
Molecular FormulaC8H13Cl
Molecular Weight144.65 g/mol
Exact Mass144.07
IUPAC Name1-(1-chloroethyl)cyclohexene
SMILESCC(Cl)C1=CCCCC1
InChIInChI=1S/C8H13Cl/c1-7(9)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3
InChIKeyMUWFZWQECZEZBL-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.65
LogP ≤ 53.11
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-(1-chloroethyl)cyclohexene?
The IUPAC name of 1-(1-chloroethyl)cyclohexene (CID 14174891) is 1-(1-chloroethyl)cyclohexene.
What is the SMILES notation for 1-(1-chloroethyl)cyclohexene?
The canonical SMILES for 1-(1-chloroethyl)cyclohexene is CC(Cl)C1=CCCCC1.
What is the InChIKey of 1-(1-chloroethyl)cyclohexene?
The InChIKey is MUWFZWQECZEZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-7(9)8-5-3-2-4-6-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-(1-chloroethyl)cyclohexene?
1-(1-chloroethyl)cyclohexene has a molecular weight of 144.65 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)cyclohexene is sourced from PubChem (CID 14174891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).