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

C7H12O3 — CID 140988829

IUPAC2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol
SMILESOC1CC2CCCC2(O)O1
InChIInChI=1S/C7H12O3/c8-6-4-5-2-1-3-7(5,9)10-6/h5-6,8-9H,1-4H2
InChIKeyQXKWDNHMPCBPQE-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.21
Rot. Bonds

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

2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol (PubChem CID 140988829) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol
PubChem CID140988829
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol
SMILESOC1CC2CCCC2(O)O1
InChIInChI=1S/C7H12O3/c8-6-4-5-2-1-3-7(5,9)10-6/h5-6,8-9H,1-4H2
InChIKeyQXKWDNHMPCBPQE-UHFFFAOYSA-N
XLogP0.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol 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
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
(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
3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 68240784
(6aS)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-6a-ol
CID 89226833
(2R)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol
CID 89568687
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol
CID 89603588
6a-Silyloxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol
CID 123171781

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol?
The IUPAC name of 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol (CID 140988829) is 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol?
The canonical SMILES for 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol is OC1CC2CCCC2(O)O1.
What is the InChIKey of 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol?
The InChIKey is QXKWDNHMPCBPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-6-4-5-2-1-3-7(5,9)10-6/h5-6,8-9H,1-4H2.
What are the key properties of 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol?
2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol has a molecular weight of 144.17 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2,6a-diol is sourced from PubChem (CID 140988829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).