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

C8H12O3 — CID 12564344

IUPAC2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one
SMILESCOC1CC2C(=O)CCC2O1
InChIInChI=1S/C8H12O3/c1-10-8-4-5-6(9)2-3-7(5)11-8/h5,7-8H,2-4H2,1H3
InChIKeyDMQFOSLSFZTYNY-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds1

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

2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one (PubChem CID 12564344) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one.

Molecular Properties

Compound Name2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one
PubChem CID12564344
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one
SMILESCOC1CC2C(=O)CCC2O1
InChIInChI=1S/C8H12O3/c1-10-8-4-5-6(9)2-3-7(5)11-8/h5,7-8H,2-4H2,1H3
InChIKeyDMQFOSLSFZTYNY-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 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone
CID 69012603
[2-(2,2-Dimethoxyethyl)-3-oxocyclopentyl] acetate
CID 69304156
[2-(2,2-Dimethoxyethyl)-3-oxocyclopentyl] propanoate
CID 91433752
(6aS)-2-methoxy-2,3,3a,4,5,6a-hexahydrocyclopenta[b]furan-6-one
CID 138493908
(3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde
CID 11019534
1-[(2R,3S,3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 15441440
1-[(2R,3R,3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 15441441
(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
CID 15934583
2-Ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde
CID 85369239
1-[(2S,3R,3aS,6aS)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 100979949
1-[(2S,3S,3aS,6aS)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 100979950
(1R,3S,3aS,6aR)-3-methoxy-1-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan-4-one
CID 130920897

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one?
The IUPAC name of 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one (CID 12564344) is 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one.
What is the SMILES notation for 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one?
The canonical SMILES for 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one is COC1CC2C(=O)CCC2O1.
What is the InChIKey of 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one?
The InChIKey is DMQFOSLSFZTYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8-4-5-6(9)2-3-7(5)11-8/h5,7-8H,2-4H2,1H3.
What are the key properties of 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one?
2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-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 2-methoxy-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4-one is sourced from PubChem (CID 12564344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).