6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C8H12O4 — CID 67409100

IUPAC6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCOC1CC2CC(=O)OC2C1O
InChIInChI=1S/C8H12O4/c1-11-5-2-4-3-6(9)12-8(4)7(5)10/h4-5,7-8,10H,2-3H2,1H3
InChIKeyGMBQDJWVLJKVSZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.30
Rot. Bonds1

About 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 67409100) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID67409100
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCOC1CC2CC(=O)OC2C1O
InChIInChI=1S/C8H12O4/c1-11-5-2-4-3-6(9)12-8(4)7(5)10/h4-5,7-8,10H,2-3H2,1H3
InChIKeyGMBQDJWVLJKVSZ-UHFFFAOYSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CID 2724453
5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one
CID 395127
(+)-Corey lactone
CID 11084331
rac-(3aR,6S,6aS)-6-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one
CID 10844480
6-Hydroxyhexahydrocyclopenta[b]furan-2-one
CID 534797
(3aS,4R,6R,6aR)-3a,4-dihydroxy-3,3,6-trimethyl-4,5,6,6a-tetrahydrocyclopenta[c]furan-1-one
CID 171394281
(3aR,4S,6R,6aS)-3a,4-dihydroxy-3,3,6-trimethyl-4,5,6,6a-tetrahydrocyclopenta[c]furan-1-one
CID 171394282
(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl acetate
CID 10889249
(3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-methoxy-2H-cyclopentafuran-2-one
CID 25020819
tert-butyl (3R,3aR,6S,6aS)-6-fluoro-3-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carboxylate
CID 57792800
[4-(Hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 12770861
(3aS,5S,6aS)-5-hydroxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 11084119

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 67409100) is 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is COC1CC2CC(=O)OC2C1O.
What is the InChIKey of 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is GMBQDJWVLJKVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-11-5-2-4-3-6(9)12-8(4)7(5)10/h4-5,7-8,10H,2-3H2,1H3.
What are the key properties of 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 172.18 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 67409100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).