[(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'}

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Related Compounds

[(3R,3aS,5R,6S,6aS)-5,6-dihydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl] acetate
CID 100977147
[(3aS,5S,6R,7aS)-5-acetyloxy-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran-6-yl]methyl acetate
CID 10825894
[(4R)-5-methylidene-2-oxooxan-4-yl] acetate
CID 162949780
[(2R,3S,5R,6R)-5,6-diacetyloxy-2-methyl-4-methylideneoxan-3-yl] acetate
CID 15332281
[(1R,2R,4S,5R)-2-acetamido-4,5-diacetyloxy-3-methylidenecyclopentyl] acetate
CID 10358197
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-methylideneoxan-2-yl]methyl acetate
CID 11290867
[(3R,4aS,5R,6R,7aR)-5-hydroxy-6-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-3-yl] acetate
CID 11106722
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,3R,4R,5S,6S,8R,9R,10S)-5,9,10-triacetyloxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] acetate
CID 56653848
[(1S,3S,4R,6S,7R,9S)-3,4,6,7,9-pentaacetyloxy-2,3,4,5,6,7,8,9-octahydro-1H-cyclopenta[e]-as-indacen-1-yl] acetate
CID 98504176
(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-8-yl) acetate
CID 170231141
[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate
CID 164917808

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).