1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

C7H10O2 — CID 12648864

IUPAC1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESO=C1OCC2CCCC12
InChIInChI=1S/C7H10O2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2
InChIKeyWAWXKXJCQYNDFY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.96
Rot. Bonds

About 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one

1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 12648864) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID12648864
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESO=C1OCC2CCCC12
InChIInChI=1S/C7H10O2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2
InChIKeyWAWXKXJCQYNDFY-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 12648864) is 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is O=C1OCC2CCCC12.
What is the InChIKey of 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is WAWXKXJCQYNDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2.
What are the key properties of 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 126.16 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 12648864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).