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

C7H12O2 — CID 12645859

IUPAC3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESOC1CC2CCCC2O1
InChIInChI=1S/C7H12O2/c8-7-4-5-2-1-3-6(5)9-7/h5-8H,1-4H2
InChIKeyIFUYEJWYVORTEU-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.89
Rot. Bonds

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

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 12645859) 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-2-ol.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID12645859
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESOC1CC2CCCC2O1
InChIInChI=1S/C7H12O2/c8-7-4-5-2-1-3-6(5)9-7/h5-8H,1-4H2
InChIKeyIFUYEJWYVORTEU-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59065317
(3aR,4R,5S,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59956913
3-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 153756207
4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 22951157
(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 10678252
(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 15360283
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 18944235
2,3,3a,4,5,6-Hexahydrocyclopenta[b]furan-6a-ol
CID 23154286
(3aR,4R,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 54186143
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 54186144
(3aS,6aS)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
CID 58488562
(3aS,6aR)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3,3a-diol
CID 58488564

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 12645859) is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is OC1CC2CCCC2O1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is IFUYEJWYVORTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-7-4-5-2-1-3-6(5)9-7/h5-8H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 128.17 g/mol, XLogP of 0.89, 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-2-ol is sourced from PubChem (CID 12645859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).