1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one

C7H8O2 — CID 70113942

IUPAC1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESO=C1OCC2CC=CC12
InChIInChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1,3,5-6H,2,4H2
InChIKeyXXWUEMGUAVSRJZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.74
Rot. Bonds

About 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one

1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 70113942) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one
PubChem CID70113942
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one
SMILESO=C1OCC2CC=CC12
InChIInChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1,3,5-6H,2,4H2
InChIKeyXXWUEMGUAVSRJZ-UHFFFAOYSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one (CID 70113942) is 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one is O=C1OCC2CC=CC12.
What is the InChIKey of 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is XXWUEMGUAVSRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1,3,5-6H,2,4H2.
What are the key properties of 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one?
1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 124.14 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,6,6a-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 70113942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).