4-[(E)-2-chloroethenyl]cyclohexene

C8H11Cl — CID 121454311

IUPAC4-[(E)-2-chloroethenyl]cyclohexene
SMILESCl/C=C/C1CC=CCC1
InChIInChI=1S/C8H11Cl/c9-7-6-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2/b7-6+
InChIKeyFWIRMLXJOPICGU-VOTSOKGWSA-N
MW142.63 g/mol
LogP3.10
Rot. Bonds1

About 4-[(E)-2-chloroethenyl]cyclohexene

4-[(E)-2-chloroethenyl]cyclohexene (PubChem CID 121454311) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 4-[(E)-2-chloroethenyl]cyclohexene.

Molecular Properties

Compound Name4-[(E)-2-chloroethenyl]cyclohexene
PubChem CID121454311
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name4-[(E)-2-chloroethenyl]cyclohexene
SMILESCl/C=C/C1CC=CCC1
InChIInChI=1S/C8H11Cl/c9-7-6-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2/b7-6+
InChIKeyFWIRMLXJOPICGU-VOTSOKGWSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-chloroethenyl]cyclohexene?
The IUPAC name of 4-[(E)-2-chloroethenyl]cyclohexene (CID 121454311) is 4-[(E)-2-chloroethenyl]cyclohexene.
What is the SMILES notation for 4-[(E)-2-chloroethenyl]cyclohexene?
The canonical SMILES for 4-[(E)-2-chloroethenyl]cyclohexene is Cl/C=C/C1CC=CCC1.
What is the InChIKey of 4-[(E)-2-chloroethenyl]cyclohexene?
The InChIKey is FWIRMLXJOPICGU-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H11Cl/c9-7-6-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2/b7-6+.
What are the key properties of 4-[(E)-2-chloroethenyl]cyclohexene?
4-[(E)-2-chloroethenyl]cyclohexene has a molecular weight of 142.63 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-chloroethenyl]cyclohexene is sourced from PubChem (CID 121454311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).