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

C7H10O3 — CID 123988861

IUPAC1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESO=C1OC(O)C2CCCC12
InChIInChI=1S/C7H10O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-6,8H,1-3H2
InChIKeyWZMNOADELDAUJN-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.28
Rot. Bonds

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

1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (PubChem CID 123988861) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
PubChem CID123988861
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
SMILESO=C1OC(O)C2CCCC12
InChIInChI=1S/C7H10O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-6,8H,1-3H2
InChIKeyWZMNOADELDAUJN-UHFFFAOYSA-N
XLogP0.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The IUPAC name of 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one (CID 123988861) is 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The canonical SMILES for 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is O=C1OC(O)C2CCCC12.
What is the InChIKey of 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
The InChIKey is WZMNOADELDAUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-4-2-1-3-5(4)7(9)10-6/h4-6,8H,1-3H2.
What are the key properties of 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one?
1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one has a molecular weight of 142.15 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 123988861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).