1-(2-chloroethyl)cyclohexene

C8H13Cl — CID 13356374

IUPAC1-(2-chloroethyl)cyclohexene
SMILESClCCC1=CCCCC1
InChIInChI=1S/C8H13Cl/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKeyFMPXAWBXJFRIGE-UHFFFAOYSA-N
MW144.64 g/mol
LogP3.12
Rot. Bonds2

About 1-(2-chloroethyl)cyclohexene

1-(2-chloroethyl)cyclohexene (PubChem CID 13356374) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 1-(2-chloroethyl)cyclohexene.

Molecular Properties

Compound Name1-(2-chloroethyl)cyclohexene
PubChem CID13356374
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name1-(2-chloroethyl)cyclohexene
SMILESClCCC1=CCCCC1
InChIInChI=1S/C8H13Cl/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKeyFMPXAWBXJFRIGE-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.12
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

(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
5-Chlorocyclooctene
CID 5365556
3-Chlorocyclooctene
CID 5365636
Cyclohexene, 1-(chloromethyl)-
CID 11974168
(2-Chloroethylidene)cyclohexane
CID 12640877
1-(Chloromethyl)cyclopent-1-ene
CID 12914389
3-Chloro-1-methylcyclohex-1-ene
CID 13741597
1-(1-Chlorovinyl)cyclohexene
CID 129802961
(e)-1-(Chloromethyl)cyclohept-1-ene
CID 55303728
1-[(Z)-1,2-dichloroethenyl]cyclohexene
CID 135058109
Nonane, 5-(3-chloropropylidene)-
CID 10035768

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)cyclohexene?
The IUPAC name of 1-(2-chloroethyl)cyclohexene (CID 13356374) is 1-(2-chloroethyl)cyclohexene.
What is the SMILES notation for 1-(2-chloroethyl)cyclohexene?
The canonical SMILES for 1-(2-chloroethyl)cyclohexene is ClCCC1=CCCCC1.
What is the InChIKey of 1-(2-chloroethyl)cyclohexene?
The InChIKey is FMPXAWBXJFRIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2.
What are the key properties of 1-(2-chloroethyl)cyclohexene?
1-(2-chloroethyl)cyclohexene has a molecular weight of 144.64 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)cyclohexene is sourced from PubChem (CID 13356374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).