2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one

C8H10Cl2O2 — CID 71435466

IUPAC2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one
SMILESO=C1CCCCC1=C(O)C(Cl)Cl
InChIInChI=1S/C8H10Cl2O2/c9-8(10)7(12)5-3-1-2-4-6(5)11/h8,12H,1-4H2
InChIKeyYZOIOWZBXSZUIO-UHFFFAOYSA-N
MW209.07 g/mol
LogP2.75
Rot. Bonds1

About 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one

2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one (PubChem CID 71435466) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one
PubChem CID71435466
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Name2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one
SMILESO=C1CCCCC1=C(O)C(Cl)Cl
InChIInChI=1S/C8H10Cl2O2/c9-8(10)7(12)5-3-1-2-4-6(5)11/h8,12H,1-4H2
InChIKeyYZOIOWZBXSZUIO-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one?
The IUPAC name of 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one (CID 71435466) is 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one.
What is the SMILES notation for 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one?
The canonical SMILES for 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one is O=C1CCCCC1=C(O)C(Cl)Cl.
What is the InChIKey of 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one?
The InChIKey is YZOIOWZBXSZUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c9-8(10)7(12)5-3-1-2-4-6(5)11/h8,12H,1-4H2.
What are the key properties of 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one?
2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one has a molecular weight of 209.07 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloro-1-hydroxyethylidene)cyclohexan-1-one is sourced from PubChem (CID 71435466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).