5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one

C8H12O4 — CID 130142453

IUPAC5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCC1(O)C(O)CC2CC(=O)OC21
InChIInChI=1S/C8H12O4/c1-8(11)5(9)2-4-3-6(10)12-7(4)8/h4-5,7,9,11H,2-3H2,1H3
InChIKeyBRKWMBMRPFCASA-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.57
Rot. Bonds

About 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one

5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one (PubChem CID 130142453) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one.

Molecular Properties

Compound Name5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
PubChem CID130142453
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
SMILESCC1(O)C(O)CC2CC(=O)OC21
InChIInChI=1S/C8H12O4/c1-8(11)5(9)2-4-3-6(10)12-7(4)8/h4-5,7,9,11H,2-3H2,1H3
InChIKeyBRKWMBMRPFCASA-UHFFFAOYSA-N
XLogP-0.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,5S,8bS)-5-hydroxy-8,8-dimethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-b]furan-2-one
CID 10900204
(3aS,5R,6S,6aR)-5,6-dihydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 130757545
(3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one
CID 132550320
(3aR,5S,7aS)-5-hydroxy-6-methyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 10583223
(4aR,7R,7aR)-7-hydroxy-7-methyl-1,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-3-one
CID 10964936
(3aR,4aR,8aR,9aR)-8a-methyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2,5-dione
CID 10889494
(5R)-5-methyl-5-[(3R,5R)-3,4,5-trihydroxy-1,4-dimethylcyclohexyl]oxolan-2-one
CID 170989083
6,7-dihydroxy-4-(hydroxymethyl)-7-methyl-3,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-1-one
CID 10560655
[(3aS,5R,6R,6aR)-6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10890066
[(3aR,5R,6S,6aS)-6-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10354358
(3aS,8aR,8bR)-8a-hydroxy-8,8-dimethyl-3,3a,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
CID 101036889
(3aR,8aS,8bR)-8a-hydroxy-8,8-dimethyl-3,3a,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
CID 102243080

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The IUPAC name of 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one (CID 130142453) is 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one.
What is the SMILES notation for 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The canonical SMILES for 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one is CC1(O)C(O)CC2CC(=O)OC21.
What is the InChIKey of 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
The InChIKey is BRKWMBMRPFCASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-8(11)5(9)2-4-3-6(10)12-7(4)8/h4-5,7,9,11H,2-3H2,1H3.
What are the key properties of 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one?
5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one has a molecular weight of 172.18 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one is sourced from PubChem (CID 130142453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).