2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone

C11H19ClO — CID 13192855

IUPAC2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)CCl)CC1
InChIInChI=1S/C11H19ClO/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h8-10H,3-7H2,1-2H3
InChIKeyARTZCJMNXWYGTA-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.26
Rot. Bonds3

About 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone

2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone (PubChem CID 13192855) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone
PubChem CID13192855
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)CCl)CC1
InChIInChI=1S/C11H19ClO/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h8-10H,3-7H2,1-2H3
InChIKeyARTZCJMNXWYGTA-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone?
The IUPAC name of 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone (CID 13192855) is 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone.
What is the SMILES notation for 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone?
The canonical SMILES for 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone is CC(C)C1CCC(C(=O)CCl)CC1.
What is the InChIKey of 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone?
The InChIKey is ARTZCJMNXWYGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone?
2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone has a molecular weight of 202.72 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 13192855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).