1-cyclohexylcyclohexane-1,2-dicarbonyl chloride

C14H20Cl2O2 — CID 87344968

IUPAC1-cyclohexylcyclohexane-1,2-dicarbonyl chloride
SMILESO=C(Cl)C1CCCCC1(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C14H20Cl2O2/c15-12(17)11-8-4-5-9-14(11,13(16)18)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKeyFOILAIFDEZCGIP-UHFFFAOYSA-N
MW291.22 g/mol
LogP4.27
Rot. Bonds3

About 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride

1-cyclohexylcyclohexane-1,2-dicarbonyl chloride (PubChem CID 87344968) has the molecular formula C14H20Cl2O2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride.

Molecular Properties

Compound Name1-cyclohexylcyclohexane-1,2-dicarbonyl chloride
PubChem CID87344968
Molecular FormulaC14H20Cl2O2
Molecular Weight291.22 g/mol
Exact Mass290.08
IUPAC Name1-cyclohexylcyclohexane-1,2-dicarbonyl chloride
SMILESO=C(Cl)C1CCCCC1(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C14H20Cl2O2/c15-12(17)11-8-4-5-9-14(11,13(16)18)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKeyFOILAIFDEZCGIP-UHFFFAOYSA-N
XLogP4.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride?
The IUPAC name of 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride (CID 87344968) is 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride.
What is the SMILES notation for 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride?
The canonical SMILES for 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride is O=C(Cl)C1CCCCC1(C(=O)Cl)C1CCCCC1.
What is the InChIKey of 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride?
The InChIKey is FOILAIFDEZCGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O2/c15-12(17)11-8-4-5-9-14(11,13(16)18)10-6-2-1-3-7-10/h10-11H,1-9H2.
What are the key properties of 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride?
1-cyclohexylcyclohexane-1,2-dicarbonyl chloride has a molecular weight of 291.22 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylcyclohexane-1,2-dicarbonyl chloride is sourced from PubChem (CID 87344968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).