(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene

C10H13Cl — CID 18737557

IUPAC(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene
SMILESC=CC1=C(Cl)/C(=C/C)CCC1
InChIInChI=1S/C10H13Cl/c1-3-8-6-5-7-9(4-2)10(8)11/h3-4H,1,5-7H2,2H3/b9-4+
InChIKeySPLCOJMXZBDXBU-RUDMXATFSA-N
MW168.67 g/mol
LogP3.80
Rot. Bonds1

About (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene

(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene (PubChem CID 18737557) has the molecular formula C10H13Cl and a molecular weight of 168.67 g/mol. Its IUPAC name is (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene.

Molecular Properties

Compound Name(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene
PubChem CID18737557
Molecular FormulaC10H13Cl
Molecular Weight168.67 g/mol
Exact Mass168.07
IUPAC Name(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene
SMILESC=CC1=C(Cl)/C(=C/C)CCC1
InChIInChI=1S/C10H13Cl/c1-3-8-6-5-7-9(4-2)10(8)11/h3-4H,1,5-7H2,2H3/b9-4+
InChIKeySPLCOJMXZBDXBU-RUDMXATFSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.67
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-Chloro-1-ethyl-5-fluorocyclohexa-1,3-diene
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4-Chloro-1-ethyl-2-fluorocyclohexa-1,3-diene
CID 123572246
1-Chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene?
The IUPAC name of (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene (CID 18737557) is (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene.
What is the SMILES notation for (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene?
The canonical SMILES for (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene is C=CC1=C(Cl)/C(=C/C)CCC1.
What is the InChIKey of (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene?
The InChIKey is SPLCOJMXZBDXBU-RUDMXATFSA-N. The full InChI is InChI=1S/C10H13Cl/c1-3-8-6-5-7-9(4-2)10(8)11/h3-4H,1,5-7H2,2H3/b9-4+.
What are the key properties of (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene?
(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene has a molecular weight of 168.67 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene is sourced from PubChem (CID 18737557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).