6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one

C10H12Cl2O — CID 12951289

IUPAC6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one
SMILESCC1=CCCC(C)(/C(Cl)=C\Cl)C1=O
InChIInChI=1S/C10H12Cl2O/c1-7-4-3-5-10(2,9(7)13)8(12)6-11/h4,6H,3,5H2,1-2H3/b8-6+
InChIKeyXIFSAJNUJRZKMI-SOFGYWHQSA-N
MW219.11 g/mol
LogP3.62
Rot. Bonds1

About 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one

6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one (PubChem CID 12951289) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one
PubChem CID12951289
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one
SMILESCC1=CCCC(C)(/C(Cl)=C\Cl)C1=O
InChIInChI=1S/C10H12Cl2O/c1-7-4-3-5-10(2,9(7)13)8(12)6-11/h4,6H,3,5H2,1-2H3/b8-6+
InChIKeyXIFSAJNUJRZKMI-SOFGYWHQSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one (CID 12951289) is 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one is CC1=CCCC(C)(/C(Cl)=C\Cl)C1=O.
What is the InChIKey of 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one?
The InChIKey is XIFSAJNUJRZKMI-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-7-4-3-5-10(2,9(7)13)8(12)6-11/h4,6H,3,5H2,1-2H3/b8-6+.
What are the key properties of 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one?
6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one has a molecular weight of 219.11 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1,2-dichloroethenyl]-2,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 12951289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).