(1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol

C11H20O3 — CID 44575410

IUPAC(1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1C[C@H]2CC[C@H](CO)[C@H]2O1
InChIInChI=1S/C11H20O3/c1-2-9(13)10-5-7-3-4-8(6-12)11(7)14-10/h7-13H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1
InChIKeyGQMHBRPGCGHEQY-UVOCVTCTSA-N
MW200.28 g/mol
LogP0.93
Rot. Bonds3

About (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol

(1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol (PubChem CID 44575410) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol
PubChem CID44575410
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1C[C@H]2CC[C@H](CO)[C@H]2O1
InChIInChI=1S/C11H20O3/c1-2-9(13)10-5-7-3-4-8(6-12)11(7)14-10/h7-13H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1
InChIKeyGQMHBRPGCGHEQY-UVOCVTCTSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol (CID 44575410) is (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol is CC[C@H](O)[C@@H]1C[C@H]2CC[C@H](CO)[C@H]2O1.
What is the InChIKey of (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol?
The InChIKey is GQMHBRPGCGHEQY-UVOCVTCTSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-9(13)10-5-7-3-4-8(6-12)11(7)14-10/h7-13H,2-6H2,1H3/t7-,8-,9+,10+,11+/m1/s1.
What are the key properties of (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol?
(1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3aR,6R,6aS)-6-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]propan-1-ol is sourced from PubChem (CID 44575410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).