(6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol

C7H12O2 — CID 89226833

IUPAC(6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol
SMILESO[C@]12CCCC1CCO2
InChIInChI=1S/C7H12O2/c8-7-4-1-2-6(7)3-5-9-7/h6,8H,1-5H2/t6?,7-/m0/s1
InChIKeyJRIZQQGKRIHMJQ-MLWJPKLSSA-N
MW128.17 g/mol
LogP0.90
Rot. Bonds

About (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol

(6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol (PubChem CID 89226833) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol.

Molecular Properties

Compound Name(6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol
PubChem CID89226833
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol
SMILESO[C@]12CCCC1CCO2
InChIInChI=1S/C7H12O2/c8-7-4-1-2-6(7)3-5-9-7/h6,8H,1-5H2/t6?,7-/m0/s1
InChIKeyJRIZQQGKRIHMJQ-MLWJPKLSSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol with MolForge

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Related Compounds

3-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 153756207
1-Methoxy-2-oxabicyclo[3.3.0]octane
CID 10351795
(3aS,4S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 10678252
2-oxabicyclo-[3.3.0]octan-3(R,S)-ol
CID 12645859
(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
6a-Ethoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 69011247
6a-Pentoxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 69080471
(6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-ol
CID 70102550

Frequently Asked Questions

What is the IUPAC name of (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol?
The IUPAC name of (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol (CID 89226833) is (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol.
What is the SMILES notation for (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol?
The canonical SMILES for (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol is O[C@]12CCCC1CCO2.
What is the InChIKey of (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol?
The InChIKey is JRIZQQGKRIHMJQ-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H12O2/c8-7-4-1-2-6(7)3-5-9-7/h6,8H,1-5H2/t6?,7-/m0/s1.
What are the key properties of (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol?
(6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol has a molecular weight of 128.17 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol is sourced from PubChem (CID 89226833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).