5-(cyclohexen-1-yl)-5-methyloxolan-2-one

C11H16O2 — CID 86161315

IUPAC5-(cyclohexen-1-yl)-5-methyloxolan-2-one
SMILESCC1(C2=CCCCC2)CCC(=O)O1
InChIInChI=1S/C11H16O2/c1-11(8-7-10(12)13-11)9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3
InChIKeyCRCAEQRNWORMKA-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.58
Rot. Bonds1

About 5-(cyclohexen-1-yl)-5-methyloxolan-2-one

5-(cyclohexen-1-yl)-5-methyloxolan-2-one (PubChem CID 86161315) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-5-methyloxolan-2-one
PubChem CID86161315
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-(cyclohexen-1-yl)-5-methyloxolan-2-one
SMILESCC1(C2=CCCCC2)CCC(=O)O1
InChIInChI=1S/C11H16O2/c1-11(8-7-10(12)13-11)9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3
InChIKeyCRCAEQRNWORMKA-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(cyclohexen-1-yl)-5-methyloxolan-2-one 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 5-(cyclohexen-1-yl)-5-methyloxolan-2-one?
The IUPAC name of 5-(cyclohexen-1-yl)-5-methyloxolan-2-one (CID 86161315) is 5-(cyclohexen-1-yl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(cyclohexen-1-yl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(cyclohexen-1-yl)-5-methyloxolan-2-one is CC1(C2=CCCCC2)CCC(=O)O1.
What is the InChIKey of 5-(cyclohexen-1-yl)-5-methyloxolan-2-one?
The InChIKey is CRCAEQRNWORMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(8-7-10(12)13-11)9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3.
What are the key properties of 5-(cyclohexen-1-yl)-5-methyloxolan-2-one?
5-(cyclohexen-1-yl)-5-methyloxolan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-5-methyloxolan-2-one is sourced from PubChem (CID 86161315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).