2-cyclopentylidene-5,5-dimethyloxolan-3-one

C11H16O2 — CID 10845091

IUPAC2-cyclopentylidene-5,5-dimethyloxolan-3-one
SMILESCC1(C)CC(=O)C(=C2CCCC2)O1
InChIInChI=1S/C11H16O2/c1-11(2)7-9(12)10(13-11)8-5-3-4-6-8/h3-7H2,1-2H3
InChIKeyIWPPICPESRBVIH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.58
Rot. Bonds

About 2-cyclopentylidene-5,5-dimethyloxolan-3-one

2-cyclopentylidene-5,5-dimethyloxolan-3-one (PubChem CID 10845091) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclopentylidene-5,5-dimethyloxolan-3-one.

Molecular Properties

Compound Name2-cyclopentylidene-5,5-dimethyloxolan-3-one
PubChem CID10845091
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-cyclopentylidene-5,5-dimethyloxolan-3-one
SMILESCC1(C)CC(=O)C(=C2CCCC2)O1
InChIInChI=1S/C11H16O2/c1-11(2)7-9(12)10(13-11)8-5-3-4-6-8/h3-7H2,1-2H3
InChIKeyIWPPICPESRBVIH-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-5,5-dimethyloxolan-3-one?
The IUPAC name of 2-cyclopentylidene-5,5-dimethyloxolan-3-one (CID 10845091) is 2-cyclopentylidene-5,5-dimethyloxolan-3-one.
What is the SMILES notation for 2-cyclopentylidene-5,5-dimethyloxolan-3-one?
The canonical SMILES for 2-cyclopentylidene-5,5-dimethyloxolan-3-one is CC1(C)CC(=O)C(=C2CCCC2)O1.
What is the InChIKey of 2-cyclopentylidene-5,5-dimethyloxolan-3-one?
The InChIKey is IWPPICPESRBVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2)7-9(12)10(13-11)8-5-3-4-6-8/h3-7H2,1-2H3.
What are the key properties of 2-cyclopentylidene-5,5-dimethyloxolan-3-one?
2-cyclopentylidene-5,5-dimethyloxolan-3-one has a molecular weight of 180.25 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-5,5-dimethyloxolan-3-one is sourced from PubChem (CID 10845091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).