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

C8H14O3 — CID 89221013

IUPAC(3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESOC[C@H]1CC[C@@H]2OC(O)C[C@H]12
InChIInChI=1S/C8H14O3/c9-4-5-1-2-7-6(5)3-8(10)11-7/h5-10H,1-4H2/t5-,6-,7+,8?/m1/s1
InChIKeyZELGVFROQXKFCV-HBFKVTOISA-N
MW158.20 g/mol
LogP0.11
Rot. Bonds1

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

(3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 89221013) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID89221013
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESOC[C@H]1CC[C@@H]2OC(O)C[C@H]12
InChIInChI=1S/C8H14O3/c9-4-5-1-2-7-6(5)3-8(10)11-7/h5-10H,1-4H2/t5-,6-,7+,8?/m1/s1
InChIKeyZELGVFROQXKFCV-HBFKVTOISA-N
XLogP0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 89221013) is (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is OC[C@H]1CC[C@@H]2OC(O)C[C@H]12.
What is the InChIKey of (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is ZELGVFROQXKFCV-HBFKVTOISA-N. The full InChI is InChI=1S/C8H14O3/c9-4-5-1-2-7-6(5)3-8(10)11-7/h5-10H,1-4H2/t5-,6-,7+,8?/m1/s1.
What are the key properties of (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 158.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 89221013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).