[(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol

C9H14O3 — CID 131003552

IUPAC[(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol
SMILESCO[C@]12OCC[C@H]1C=C[C@@H]2CO
InChIInChI=1S/C9H14O3/c1-11-9-7(4-5-12-9)2-3-8(9)6-10/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyFKJCIKLDESPGAW-HLTSFMKQSA-N
MW170.21 g/mol
LogP0.54
Rot. Bonds2

About [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol

[(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol (PubChem CID 131003552) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol.

Molecular Properties

Compound Name[(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol
PubChem CID131003552
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name[(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol
SMILESCO[C@]12OCC[C@H]1C=C[C@@H]2CO
InChIInChI=1S/C9H14O3/c1-11-9-7(4-5-12-9)2-3-8(9)6-10/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyFKJCIKLDESPGAW-HLTSFMKQSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
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,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol?
The IUPAC name of [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol (CID 131003552) is [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol.
What is the SMILES notation for [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol?
The canonical SMILES for [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol is CO[C@]12OCC[C@H]1C=C[C@@H]2CO.
What is the InChIKey of [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol?
The InChIKey is FKJCIKLDESPGAW-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H14O3/c1-11-9-7(4-5-12-9)2-3-8(9)6-10/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol?
[(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol has a molecular weight of 170.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6R,6aS)-6a-methoxy-2,3,3a,6-tetrahydrocyclopenta[b]furan-6-yl]methanol is sourced from PubChem (CID 131003552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).