(1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one

C8H10O3 — CID 10942666

IUPAC(1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESCO[C@H]1OC(=O)[C@@H]2CC=C[C@H]12
InChIInChI=1S/C8H10O3/c1-10-8-6-4-2-3-5(6)7(9)11-8/h2,4-6,8H,3H2,1H3/t5-,6+,8+/m1/s1
InChIKeyXCRVBSQNFQMJHG-CHKWXVPMSA-N
MW154.16 g/mol
LogP0.71
Rot. Bonds1

About (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one

(1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 10942666) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID10942666
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESCO[C@H]1OC(=O)[C@@H]2CC=C[C@H]12
InChIInChI=1S/C8H10O3/c1-10-8-6-4-2-3-5(6)7(9)11-8/h2,4-6,8H,3H2,1H3/t5-,6+,8+/m1/s1
InChIKeyXCRVBSQNFQMJHG-CHKWXVPMSA-N
XLogP0.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one with MolForge

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Related Compounds

(3aS,6aR)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
CID 338681
3-Oxabicyclo[3.3.0]oct-6-en-2-one
CID 4371112
(1R,5S)-3-Oxabicyclo[3.3.0]oct-6-en-2-one
CID 10909564
4-Methyl-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
CID 70125178
3a-methyl-4,6a-dihydro-1H-cyclopenta[c]furan-3-one
CID 70126309
3-Methyl-5-oxo-4-(prop-2-en-1-yl)-tetrahydrofuran-2-yl acetate
CID 129742427
Methyl (3as,4s,6ar)-3,3a,4,6a-tetrahydro-1h-cyclopenta[c]furan-4-carboxylate
CID 129750189
Methyl 3,3a,4,6a-tetrahydro-1h-cyclopenta[c]furan-4-carboxylate
CID 129750530
(3Ar,6ar)-6-(1-methylethylidene)-3,3a,6,6a-tetrahydro-1h-cyclopenta[c]furan-1-one
CID 129758829
(3As,6as)-6-(1-methylethylidene)-3,3a,6,6a-tetrahydro-1h-cyclopenta[c]furan-1-one
CID 129759230
(+)-6-(1-Methylethylidene)-3,3a,6,6a-tetrahydro-1h-cyclopenta[c]-furan-1-one
CID 129864895
(3As,4s,6ar)-4-(methoxymethoxy)-3,3a,4,6a-tetrahydro-1h-cyclopenta[c]furan-1-one
CID 172645650

Frequently Asked Questions

What is the IUPAC name of (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one (CID 10942666) is (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is CO[C@H]1OC(=O)[C@@H]2CC=C[C@H]12.
What is the InChIKey of (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is XCRVBSQNFQMJHG-CHKWXVPMSA-N. The full InChI is InChI=1S/C8H10O3/c1-10-8-6-4-2-3-5(6)7(9)11-8/h2,4-6,8H,3H2,1H3/t5-,6+,8+/m1/s1.
What are the key properties of (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one?
(1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 154.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aR,6aS)-1-methoxy-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 10942666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).