[(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate

C9H12O3 — CID 58940573

IUPAC[(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate
SMILESC=C1COC2CC2[C@H]1OC(C)=O
InChIInChI=1S/C9H12O3/c1-5-4-11-8-3-7(8)9(5)12-6(2)10/h7-9H,1,3-4H2,2H3/t7?,8?,9-/m0/s1
InChIKeyOEVAPBKRUUWGQJ-HACHORDNSA-N
MW168.19 g/mol
LogP0.89
Rot. Bonds1

About [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate

[(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate (PubChem CID 58940573) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate.

Molecular Properties

Compound Name[(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate
PubChem CID58940573
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name[(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate
SMILESC=C1COC2CC2[C@H]1OC(C)=O
InChIInChI=1S/C9H12O3/c1-5-4-11-8-3-7(8)9(5)12-6(2)10/h7-9H,1,3-4H2,2H3/t7?,8?,9-/m0/s1
InChIKeyOEVAPBKRUUWGQJ-HACHORDNSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] 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 [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate?
The IUPAC name of [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate (CID 58940573) is [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate.
What is the SMILES notation for [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate?
The canonical SMILES for [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate is C=C1COC2CC2[C@H]1OC(C)=O.
What is the InChIKey of [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate?
The InChIKey is OEVAPBKRUUWGQJ-HACHORDNSA-N. The full InChI is InChI=1S/C9H12O3/c1-5-4-11-8-3-7(8)9(5)12-6(2)10/h7-9H,1,3-4H2,2H3/t7?,8?,9-/m0/s1.
What are the key properties of [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate?
[(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate has a molecular weight of 168.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-4-methylidene-2-oxabicyclo[4.1.0]heptan-5-yl] acetate is sourced from PubChem (CID 58940573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).