1-chloro-4-(1-chloroethenyl)cyclohexene

C8H10Cl2 — CID 26101

IUPAC1-chloro-4-(1-chloroethenyl)cyclohexene
SMILESC=C(Cl)C1CC=C(Cl)CC1
InChIInChI=1S/C8H10Cl2/c1-6(9)7-2-4-8(10)5-3-7/h4,7H,1-3,5H2
InChIKeyRRBHRPHCJASXKZ-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.66
Rot. Bonds1

About 1-chloro-4-(1-chloroethenyl)cyclohexene

1-chloro-4-(1-chloroethenyl)cyclohexene (PubChem CID 26101) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 1-chloro-4-(1-chloroethenyl)cyclohexene.

Molecular Properties

Compound Name1-chloro-4-(1-chloroethenyl)cyclohexene
PubChem CID26101
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name1-chloro-4-(1-chloroethenyl)cyclohexene
SMILESC=C(Cl)C1CC=C(Cl)CC1
InChIInChI=1S/C8H10Cl2/c1-6(9)7-2-4-8(10)5-3-7/h4,7H,1-3,5H2
InChIKeyRRBHRPHCJASXKZ-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-chloroethenyl)cyclohexene?
The IUPAC name of 1-chloro-4-(1-chloroethenyl)cyclohexene (CID 26101) is 1-chloro-4-(1-chloroethenyl)cyclohexene.
What is the SMILES notation for 1-chloro-4-(1-chloroethenyl)cyclohexene?
The canonical SMILES for 1-chloro-4-(1-chloroethenyl)cyclohexene is C=C(Cl)C1CC=C(Cl)CC1.
What is the InChIKey of 1-chloro-4-(1-chloroethenyl)cyclohexene?
The InChIKey is RRBHRPHCJASXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-6(9)7-2-4-8(10)5-3-7/h4,7H,1-3,5H2.
What are the key properties of 1-chloro-4-(1-chloroethenyl)cyclohexene?
1-chloro-4-(1-chloroethenyl)cyclohexene has a molecular weight of 177.07 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-chloroethenyl)cyclohexene is sourced from PubChem (CID 26101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).