5-cyclohexyl-3-methylideneoxolan-2-one

C11H16O2 — CID 11769135

IUPAC5-cyclohexyl-3-methylideneoxolan-2-one
SMILESC=C1CC(C2CCCCC2)OC1=O
InChIInChI=1S/C11H16O2/c1-8-7-10(13-11(8)12)9-5-3-2-4-6-9/h9-10H,1-7H2
InChIKeyKEYLCKKBSXUNBS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds1

About 5-cyclohexyl-3-methylideneoxolan-2-one

5-cyclohexyl-3-methylideneoxolan-2-one (PubChem CID 11769135) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-cyclohexyl-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-cyclohexyl-3-methylideneoxolan-2-one
PubChem CID11769135
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-cyclohexyl-3-methylideneoxolan-2-one
SMILESC=C1CC(C2CCCCC2)OC1=O
InChIInChI=1S/C11H16O2/c1-8-7-10(13-11(8)12)9-5-3-2-4-6-9/h9-10H,1-7H2
InChIKeyKEYLCKKBSXUNBS-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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 5-cyclohexyl-3-methylideneoxolan-2-one?
The IUPAC name of 5-cyclohexyl-3-methylideneoxolan-2-one (CID 11769135) is 5-cyclohexyl-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-cyclohexyl-3-methylideneoxolan-2-one?
The canonical SMILES for 5-cyclohexyl-3-methylideneoxolan-2-one is C=C1CC(C2CCCCC2)OC1=O.
What is the InChIKey of 5-cyclohexyl-3-methylideneoxolan-2-one?
The InChIKey is KEYLCKKBSXUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-7-10(13-11(8)12)9-5-3-2-4-6-9/h9-10H,1-7H2.
What are the key properties of 5-cyclohexyl-3-methylideneoxolan-2-one?
5-cyclohexyl-3-methylideneoxolan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-methylideneoxolan-2-one is sourced from PubChem (CID 11769135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).