methyl 3-cyclohexyl-3-oxopropanoate

C10H16O3 — CID 11008598

IUPACmethyl 3-cyclohexyl-3-oxopropanoate
SMILESCOC(=O)CC(=O)C1CCCCC1
InChIInChI=1S/C10H16O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyMIOOVIILBQHHNK-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds3

About methyl 3-cyclohexyl-3-oxopropanoate

methyl 3-cyclohexyl-3-oxopropanoate (PubChem CID 11008598) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 3-cyclohexyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-3-oxopropanoate
PubChem CID11008598
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 3-cyclohexyl-3-oxopropanoate
SMILESCOC(=O)CC(=O)C1CCCCC1
InChIInChI=1S/C10H16O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyMIOOVIILBQHHNK-UHFFFAOYSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-cyclohexyl-3-oxopropanoate 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 methyl 3-cyclohexyl-3-oxopropanoate?
The IUPAC name of methyl 3-cyclohexyl-3-oxopropanoate (CID 11008598) is methyl 3-cyclohexyl-3-oxopropanoate.
What is the SMILES notation for methyl 3-cyclohexyl-3-oxopropanoate?
The canonical SMILES for methyl 3-cyclohexyl-3-oxopropanoate is COC(=O)CC(=O)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-3-oxopropanoate?
The InChIKey is MIOOVIILBQHHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of methyl 3-cyclohexyl-3-oxopropanoate?
methyl 3-cyclohexyl-3-oxopropanoate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-3-oxopropanoate is sourced from PubChem (CID 11008598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).