4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one

C8H10O3 — CID 85303556

IUPAC4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESCC1C(=O)OC2C=CC(O)C21
InChIInChI=1S/C8H10O3/c1-4-7-5(9)2-3-6(7)11-8(4)10/h2-7,9H,1H3
InChIKeyAIGKEBYVLQBLCG-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.09
Rot. Bonds

About 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one

4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 85303556) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID85303556
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESCC1C(=O)OC2C=CC(O)C21
InChIInChI=1S/C8H10O3/c1-4-7-5(9)2-3-6(7)11-8(4)10/h2-7,9H,1H3
InChIKeyAIGKEBYVLQBLCG-UHFFFAOYSA-N
XLogP0.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one (CID 85303556) is 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one is CC1C(=O)OC2C=CC(O)C21.
What is the InChIKey of 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is AIGKEBYVLQBLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-7-5(9)2-3-6(7)11-8(4)10/h2-7,9H,1H3.
What are the key properties of 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one?
4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 85303556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).