3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol

C7H12O2 — CID 58035449

IUPAC3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
SMILESOC1CCC2CCOC12
InChIInChI=1S/C7H12O2/c8-6-2-1-5-3-4-9-7(5)6/h5-8H,1-4H2
InChIKeyJNOKBQBUXPJUPU-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.55
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol (PubChem CID 58035449) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
PubChem CID58035449
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
SMILESOC1CCC2CCOC12
InChIInChI=1S/C7H12O2/c8-6-2-1-5-3-4-9-7(5)6/h5-8H,1-4H2
InChIKeyJNOKBQBUXPJUPU-UHFFFAOYSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol with MolForge

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Related Compounds

(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 11849279
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 72421246
(5S,9R)-1-oxaspiro[4.4]nonan-9-ol
CID 10678352
(5S,9S)-1-oxaspiro[4.4]nonan-9-ol
CID 10820630
(3S,3aR,6aS)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
CID 101708072
(3aR,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 9548655
Hexahydro-2H-cyclopenta[b]furan-3-ol
CID 14148356
(3S,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 21595351
(3R,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 21796761
(3S,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 53465921
(3R,3aS,5R,6aR)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 53465925
2,3,3a,4,5,6-Hexahydrocyclopenta[b]furan-3,5,6,6a-tetrol
CID 53631300

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol (CID 58035449) is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol is OC1CCC2CCOC12.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The InChIKey is JNOKBQBUXPJUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-6-2-1-5-3-4-9-7(5)6/h5-8H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol has a molecular weight of 128.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol is sourced from PubChem (CID 58035449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).