2,2-dicyclohexylacetyl chloride

C14H23ClO — CID 18401576

IUPAC2,2-dicyclohexylacetyl chloride
SMILESO=C(Cl)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H23ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeyVHWLEXPKNLZVCM-UHFFFAOYSA-N
MW242.79 g/mol
LogP4.53
Rot. Bonds3

About 2,2-dicyclohexylacetyl chloride

2,2-dicyclohexylacetyl chloride (PubChem CID 18401576) has the molecular formula C14H23ClO and a molecular weight of 242.79 g/mol. Its IUPAC name is 2,2-dicyclohexylacetyl chloride.

Molecular Properties

Compound Name2,2-dicyclohexylacetyl chloride
PubChem CID18401576
Molecular FormulaC14H23ClO
Molecular Weight242.79 g/mol
Exact Mass242.14
IUPAC Name2,2-dicyclohexylacetyl chloride
SMILESO=C(Cl)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H23ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeyVHWLEXPKNLZVCM-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2-dicyclohexylacetyl chloride?
The IUPAC name of 2,2-dicyclohexylacetyl chloride (CID 18401576) is 2,2-dicyclohexylacetyl chloride.
What is the SMILES notation for 2,2-dicyclohexylacetyl chloride?
The canonical SMILES for 2,2-dicyclohexylacetyl chloride is O=C(Cl)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexylacetyl chloride?
The InChIKey is VHWLEXPKNLZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-13H,1-10H2.
What are the key properties of 2,2-dicyclohexylacetyl chloride?
2,2-dicyclohexylacetyl chloride has a molecular weight of 242.79 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexylacetyl chloride is sourced from PubChem (CID 18401576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).