(1-cyclohexyl-2-oxopropyl) acetate

C11H18O3 — CID 20612544

IUPAC(1-cyclohexyl-2-oxopropyl) acetate
SMILESCC(=O)OC(C(C)=O)C1CCCCC1
InChIInChI=1S/C11H18O3/c1-8(12)11(14-9(2)13)10-6-4-3-5-7-10/h10-11H,3-7H2,1-2H3
InChIKeyQBPRCBMDNXDZFW-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.09
Rot. Bonds3

About (1-cyclohexyl-2-oxopropyl) acetate

(1-cyclohexyl-2-oxopropyl) acetate (PubChem CID 20612544) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (1-cyclohexyl-2-oxopropyl) acetate.

Molecular Properties

Compound Name(1-cyclohexyl-2-oxopropyl) acetate
PubChem CID20612544
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(1-cyclohexyl-2-oxopropyl) acetate
SMILESCC(=O)OC(C(C)=O)C1CCCCC1
InChIInChI=1S/C11H18O3/c1-8(12)11(14-9(2)13)10-6-4-3-5-7-10/h10-11H,3-7H2,1-2H3
InChIKeyQBPRCBMDNXDZFW-UHFFFAOYSA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-cyclohexyl-2-oxopropyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-oxopropyl) acetate?
The IUPAC name of (1-cyclohexyl-2-oxopropyl) acetate (CID 20612544) is (1-cyclohexyl-2-oxopropyl) acetate.
What is the SMILES notation for (1-cyclohexyl-2-oxopropyl) acetate?
The canonical SMILES for (1-cyclohexyl-2-oxopropyl) acetate is CC(=O)OC(C(C)=O)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-oxopropyl) acetate?
The InChIKey is QBPRCBMDNXDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(12)11(14-9(2)13)10-6-4-3-5-7-10/h10-11H,3-7H2,1-2H3.
What are the key properties of (1-cyclohexyl-2-oxopropyl) acetate?
(1-cyclohexyl-2-oxopropyl) acetate has a molecular weight of 198.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-oxopropyl) acetate is sourced from PubChem (CID 20612544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).