[(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate

C9H10O4 — CID 10821282

IUPAC[(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate
SMILESCC(=O)O[C@@H]1C=C[C@H]2CC(=O)O[C@H]21
InChIInChI=1S/C9H10O4/c1-5(10)12-7-3-2-6-4-8(11)13-9(6)7/h2-3,6-7,9H,4H2,1H3/t6-,7+,9+/m0/s1
InChIKeyWDUXHHCNEPIODD-LKEWCRSYSA-N
MW182.17 g/mol
LogP0.42
Rot. Bonds1

About [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate

[(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate (PubChem CID 10821282) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate.

Molecular Properties

Compound Name[(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate
PubChem CID10821282
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name[(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate
SMILESCC(=O)O[C@@H]1C=C[C@H]2CC(=O)O[C@H]21
InChIInChI=1S/C9H10O4/c1-5(10)12-7-3-2-6-4-8(11)13-9(6)7/h2-3,6-7,9H,4H2,1H3/t6-,7+,9+/m0/s1
InChIKeyWDUXHHCNEPIODD-LKEWCRSYSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate?
The IUPAC name of [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate (CID 10821282) is [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate.
What is the SMILES notation for [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate?
The canonical SMILES for [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate is CC(=O)O[C@@H]1C=C[C@H]2CC(=O)O[C@H]21.
What is the InChIKey of [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate?
The InChIKey is WDUXHHCNEPIODD-LKEWCRSYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5(10)12-7-3-2-6-4-8(11)13-9(6)7/h2-3,6-7,9H,4H2,1H3/t6-,7+,9+/m0/s1.
What are the key properties of [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate?
[(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate has a molecular weight of 182.17 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,6aR)-2-oxo-3,3a,6,6a-tetrahydrocyclopenta[b]furan-6-yl] acetate is sourced from PubChem (CID 10821282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).