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

C7H12O3 — CID 58112352

IUPAC3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol
SMILESOC1COC2C(O)CCC12
InChIInChI=1S/C7H12O3/c8-5-2-1-4-6(9)3-10-7(4)5/h4-9H,1-3H2
InChIKeyBAMJEYYLHGJATQ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.48
Rot. Bonds

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

3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol (PubChem CID 58112352) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol
PubChem CID58112352
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol
SMILESOC1COC2C(O)CCC12
InChIInChI=1S/C7H12O3/c8-5-2-1-4-6(9)3-10-7(4)5/h4-9H,1-3H2
InChIKeyBAMJEYYLHGJATQ-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 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol (CID 58112352) is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol is OC1COC2C(O)CCC12.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol?
The InChIKey is BAMJEYYLHGJATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-5-2-1-4-6(9)3-10-7(4)5/h4-9H,1-3H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol?
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-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 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3,6-diol is sourced from PubChem (CID 58112352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).