3-(dichloromethylidene)cyclohexene

C7H8Cl2 — CID 12809300

IUPAC3-(dichloromethylidene)cyclohexene
SMILESClC(Cl)=C1C=CCCC1
InChIInChI=1S/C7H8Cl2/c8-7(9)6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKeyLOBYJBXVGWUUGQ-UHFFFAOYSA-N
MW163.05 g/mol
LogP3.42
Rot. Bonds

About 3-(dichloromethylidene)cyclohexene

3-(dichloromethylidene)cyclohexene (PubChem CID 12809300) has the molecular formula C7H8Cl2 and a molecular weight of 163.05 g/mol. Its IUPAC name is 3-(dichloromethylidene)cyclohexene.

Molecular Properties

Compound Name3-(dichloromethylidene)cyclohexene
PubChem CID12809300
Molecular FormulaC7H8Cl2
Molecular Weight163.05 g/mol
Exact Mass162.00
IUPAC Name3-(dichloromethylidene)cyclohexene
SMILESClC(Cl)=C1C=CCCC1
InChIInChI=1S/C7H8Cl2/c8-7(9)6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKeyLOBYJBXVGWUUGQ-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.05
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(dichloromethylidene)cyclohexene?
The IUPAC name of 3-(dichloromethylidene)cyclohexene (CID 12809300) is 3-(dichloromethylidene)cyclohexene.
What is the SMILES notation for 3-(dichloromethylidene)cyclohexene?
The canonical SMILES for 3-(dichloromethylidene)cyclohexene is ClC(Cl)=C1C=CCCC1.
What is the InChIKey of 3-(dichloromethylidene)cyclohexene?
The InChIKey is LOBYJBXVGWUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2/c8-7(9)6-4-2-1-3-5-6/h2,4H,1,3,5H2.
What are the key properties of 3-(dichloromethylidene)cyclohexene?
3-(dichloromethylidene)cyclohexene has a molecular weight of 163.05 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dichloromethylidene)cyclohexene is sourced from PubChem (CID 12809300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).