1-chloro-2-(2-chloroethenyl)cyclohexene

C8H10Cl2 — CID 154227523

IUPAC1-chloro-2-(2-chloroethenyl)cyclohexene
SMILESClC=CC1=C(Cl)CCCC1
InChIInChI=1S/C8H10Cl2/c9-6-5-7-3-1-2-4-8(7)10/h5-6H,1-4H2
InChIKeyNQGOHTWXSHKISZ-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.81
Rot. Bonds1

About 1-chloro-2-(2-chloroethenyl)cyclohexene

1-chloro-2-(2-chloroethenyl)cyclohexene (PubChem CID 154227523) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethenyl)cyclohexene.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethenyl)cyclohexene
PubChem CID154227523
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name1-chloro-2-(2-chloroethenyl)cyclohexene
SMILESClC=CC1=C(Cl)CCCC1
InChIInChI=1S/C8H10Cl2/c9-6-5-7-3-1-2-4-8(7)10/h5-6H,1-4H2
InChIKeyNQGOHTWXSHKISZ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloroethenyl)cyclohexene?
The IUPAC name of 1-chloro-2-(2-chloroethenyl)cyclohexene (CID 154227523) is 1-chloro-2-(2-chloroethenyl)cyclohexene.
What is the SMILES notation for 1-chloro-2-(2-chloroethenyl)cyclohexene?
The canonical SMILES for 1-chloro-2-(2-chloroethenyl)cyclohexene is ClC=CC1=C(Cl)CCCC1.
What is the InChIKey of 1-chloro-2-(2-chloroethenyl)cyclohexene?
The InChIKey is NQGOHTWXSHKISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c9-6-5-7-3-1-2-4-8(7)10/h5-6H,1-4H2.
What are the key properties of 1-chloro-2-(2-chloroethenyl)cyclohexene?
1-chloro-2-(2-chloroethenyl)cyclohexene has a molecular weight of 177.07 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethenyl)cyclohexene is sourced from PubChem (CID 154227523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).