4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride

C14H20Cl2O2 — CID 13220041

IUPAC4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride
SMILESO=C(Cl)C1CCC(C2CCC(C(=O)Cl)CC2)CC1
InChIInChI=1S/C14H20Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h9-12H,1-8H2
InChIKeyORLNDJJBQFMWFB-UHFFFAOYSA-N
MW291.22 g/mol
LogP4.13
Rot. Bonds3

About 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride

4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride (PubChem CID 13220041) has the molecular formula C14H20Cl2O2 and a molecular weight of 291.22 g/mol. Its IUPAC name is 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride.

Molecular Properties

Compound Name4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride
PubChem CID13220041
Molecular FormulaC14H20Cl2O2
Molecular Weight291.22 g/mol
Exact Mass290.08
IUPAC Name4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride
SMILESO=C(Cl)C1CCC(C2CCC(C(=O)Cl)CC2)CC1
InChIInChI=1S/C14H20Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h9-12H,1-8H2
InChIKeyORLNDJJBQFMWFB-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride?
The IUPAC name of 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride (CID 13220041) is 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride.
What is the SMILES notation for 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride?
The canonical SMILES for 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride is O=C(Cl)C1CCC(C2CCC(C(=O)Cl)CC2)CC1.
What is the InChIKey of 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride?
The InChIKey is ORLNDJJBQFMWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2O2/c15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18/h9-12H,1-8H2.
What are the key properties of 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride?
4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride has a molecular weight of 291.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbonochloridoylcyclohexyl)cyclohexane-1-carbonyl chloride is sourced from PubChem (CID 13220041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).