[(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol

C9H12O3 — CID 10535100

IUPAC[(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol
SMILESOCC1=C[C@@H]2OC=C[C@@H]2[C@@H]1CO
InChIInChI=1S/C9H12O3/c10-4-6-3-9-7(1-2-12-9)8(6)5-11/h1-3,7-11H,4-5H2/t7-,8-,9+/m1/s1
InChIKeyOHHCFPNVYBOGQI-HLTSFMKQSA-N
MW168.19 g/mol
LogP0.06
Rot. Bonds2

About [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol

[(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol (PubChem CID 10535100) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol.

Molecular Properties

Compound Name[(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol
PubChem CID10535100
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name[(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol
SMILESOCC1=C[C@@H]2OC=C[C@@H]2[C@@H]1CO
InChIInChI=1S/C9H12O3/c10-4-6-3-9-7(1-2-12-9)8(6)5-11/h1-3,7-11H,4-5H2/t7-,8-,9+/m1/s1
InChIKeyOHHCFPNVYBOGQI-HLTSFMKQSA-N
XLogP0.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol?
The IUPAC name of [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol (CID 10535100) is [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol.
What is the SMILES notation for [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol?
The canonical SMILES for [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol is OCC1=C[C@@H]2OC=C[C@@H]2[C@@H]1CO.
What is the InChIKey of [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol?
The InChIKey is OHHCFPNVYBOGQI-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H12O3/c10-4-6-3-9-7(1-2-12-9)8(6)5-11/h1-3,7-11H,4-5H2/t7-,8-,9+/m1/s1.
What are the key properties of [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol?
[(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol has a molecular weight of 168.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6aR)-5-(hydroxymethyl)-4,6a-dihydro-3aH-cyclopenta[b]furan-4-yl]methanol is sourced from PubChem (CID 10535100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).