5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C13H20O5 — CID 12774756

IUPAC5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1CC2C(CC(O)C2COC2CCCCO2)O1
InChIInChI=1S/C13H20O5/c14-10-6-11-8(5-12(15)18-11)9(10)7-17-13-3-1-2-4-16-13/h8-11,13-14H,1-7H2
InChIKeyLMGWOBMHOJGTMF-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.84
Rot. Bonds3

About 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 12774756) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID12774756
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1CC2C(CC(O)C2COC2CCCCO2)O1
InChIInChI=1S/C13H20O5/c14-10-6-11-8(5-12(15)18-11)9(10)7-17-13-3-1-2-4-16-13/h8-11,13-14H,1-7H2
InChIKeyLMGWOBMHOJGTMF-UHFFFAOYSA-N
XLogP0.84
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-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

(3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CID 2724453
(3aR,4R,5R,6aS)-Hexahydro-2-oxo-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-4-carboxaldehyde
CID 11107879
(3aR,4R,5R,6aS)-4-(4,4-difluoro-3-oxooctyl)-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 15222216
(+)-Corey lactone
CID 11084331
1-[(3aR,4R,5R,6aS)-2-hydroxy-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-difluorooctan-3-one
CID 134990764
(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl acetate
CID 10889249
(3aR, 4R, 5R, 6aS)-4-[(3R)-3-Cyclohexyl-3-(tetrahydropyran-2-yloxy)propyl]-hexahydro-5-(tetrahydropyran-2-yloxy)-2H-cyclopenta[b]furan-2-one
CID 12070866
(3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-methoxy-2H-cyclopentafuran-2-one
CID 25020819
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 12770849
(3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxyoctyl)-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 15222225
Methyl 7-((1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)heptanoate
CID 22789843
(1S,5R,6R,7R)-6-(4,4-difluoro-5-oxo-octyl)-7-tetrahydropyranyloxy-2-oxabicyclo[3.3.0]octan-3-one
CID 22842859

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 12774756) is 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1CC2C(CC(O)C2COC2CCCCO2)O1.
What is the InChIKey of 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is LMGWOBMHOJGTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c14-10-6-11-8(5-12(15)18-11)9(10)7-17-13-3-1-2-4-16-13/h8-11,13-14H,1-7H2.
What are the key properties of 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 256.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-(oxan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 12774756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).