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

C8H12O3 — CID 556710

IUPAC6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCOC1CCC2CC(=O)OC21
InChIInChI=1S/C8H12O3/c1-10-6-3-2-5-4-7(9)11-8(5)6/h5-6,8H,2-4H2,1H3
InChIKeyFMOFLSAXMJWKJO-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds1

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

6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 556710) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID556710
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCOC1CCC2CC(=O)OC21
InChIInChI=1S/C8H12O3/c1-10-6-3-2-5-4-7(9)11-8(5)6/h5-6,8H,2-4H2,1H3
InChIKeyFMOFLSAXMJWKJO-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

rac-(3aR,6S,6aS)-6-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one
CID 10844480
6-Hydroxyhexahydrocyclopenta[b]furan-2-one
CID 534797
methyl 2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetate
CID 11030779
(1R,3S,6R,9S)-9-methoxy-5-oxatricyclo[4.2.1.03,9]nonan-4-one
CID 11147945
[(3aR,4S,5S,6S,6aR)-5,6-diacetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl] acetate
CID 10614139
ethyl 2-[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 11042480
ethyl 2-[(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]acetate
CID 11107108
(3aS,6aR)-5-methoxy-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
CID 58021910
(5-Methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl) nitrate
CID 67396600
6-Hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67409100
1-(3-Oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-1-yl)ethyl 2-methylbutanoate
CID 68152762
(2-Oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)methyl acetate
CID 74025048

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 556710) is 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is COC1CCC2CC(=O)OC21.
What is the InChIKey of 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is FMOFLSAXMJWKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-6-3-2-5-4-7(9)11-8(5)6/h5-6,8H,2-4H2,1H3.
What are the key properties of 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 556710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).