1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol

C7H12O3 — CID 156705417

IUPAC1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol
SMILESOC1CCC2COCC12O
InChIInChI=1S/C7H12O3/c8-6-2-1-5-3-10-4-7(5,6)9/h5-6,8-9H,1-4H2
InChIKeyLBMCKZQWSINNDC-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.48
Rot. Bonds

About 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol

1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol (PubChem CID 156705417) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol.

Molecular Properties

Compound Name1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol
PubChem CID156705417
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol
SMILESOC1CCC2COCC12O
InChIInChI=1S/C7H12O3/c8-6-2-1-5-3-10-4-7(5,6)9/h5-6,8-9H,1-4H2
InChIKeyLBMCKZQWSINNDC-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol?
The IUPAC name of 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol (CID 156705417) is 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol.
What is the SMILES notation for 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol?
The canonical SMILES for 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol is OC1CCC2COCC12O.
What is the InChIKey of 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol?
The InChIKey is LBMCKZQWSINNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-6-2-1-5-3-10-4-7(5,6)9/h5-6,8-9H,1-4H2.
What are the key properties of 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol?
1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol has a molecular weight of 144.17 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,6a-hexahydrocyclopenta[c]furan-3a,4-diol is sourced from PubChem (CID 156705417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).