2-chloroethylidenecyclohexane

C8H13Cl — CID 12640877

IUPAC2-chloroethylidenecyclohexane
SMILESClCC=C1CCCCC1
InChIInChI=1S/C8H13Cl/c9-7-6-8-4-2-1-3-5-8/h6H,1-5,7H2
InChIKeyZLOSALLYJOFVIY-UHFFFAOYSA-N
MW144.65 g/mol
LogP3.12
Rot. Bonds1

About 2-chloroethylidenecyclohexane

2-chloroethylidenecyclohexane (PubChem CID 12640877) has the molecular formula C8H13Cl and a molecular weight of 144.65 g/mol. Its IUPAC name is 2-chloroethylidenecyclohexane.

Molecular Properties

Compound Name2-chloroethylidenecyclohexane
PubChem CID12640877
Molecular FormulaC8H13Cl
Molecular Weight144.65 g/mol
Exact Mass144.07
IUPAC Name2-chloroethylidenecyclohexane
SMILESClCC=C1CCCCC1
InChIInChI=1S/C8H13Cl/c9-7-6-8-4-2-1-3-5-8/h6H,1-5,7H2
InChIKeyZLOSALLYJOFVIY-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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

Cyclohexene, 1-(chloromethyl)-
CID 11974168
4-(2-Chloro-ethylidene)-heptane
CID 24974624
2-Chloroprop-2-enylidenecyclohexane
CID 10964768
(1Z,3S)-1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane
CID 143414210
(1Z)-1-(2-chloroethylidene)-3-fluoro-2-methylidenecyclohexane
CID 143414223
1-(2-Chloroethylidene)-3-fluoro-2-methylidenecyclohexane
CID 174378752
4-(Chloromethyl)-1,2-dimethylcyclohexa-1,4-diene
CID 55298467
1-Chloro-2,6-dimethylhepta-1,5-diene
CID 74377030
(2Z)-1-chloro-3,8-dimethylnona-2,7-diene
CID 134889632
(2Z)-1-chloro-3-ethyl-7-methylocta-2,6-diene
CID 134995533
1-Chloro-3-ethylhept-2-ene
CID 170848556
(3E)-3-(chloromethylidene)cyclohexene
CID 10011917

Frequently Asked Questions

What is the IUPAC name of 2-chloroethylidenecyclohexane?
The IUPAC name of 2-chloroethylidenecyclohexane (CID 12640877) is 2-chloroethylidenecyclohexane.
What is the SMILES notation for 2-chloroethylidenecyclohexane?
The canonical SMILES for 2-chloroethylidenecyclohexane is ClCC=C1CCCCC1.
What is the InChIKey of 2-chloroethylidenecyclohexane?
The InChIKey is ZLOSALLYJOFVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c9-7-6-8-4-2-1-3-5-8/h6H,1-5,7H2.
What are the key properties of 2-chloroethylidenecyclohexane?
2-chloroethylidenecyclohexane has a molecular weight of 144.65 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethylidenecyclohexane is sourced from PubChem (CID 12640877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).