[(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol

C6H10O3 — CID 100937518

IUPAC[(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
SMILESOC[C@@H]1[C@H](CO)[C@@H]2O[C@H]12
InChIInChI=1S/C6H10O3/c7-1-3-4(2-8)6-5(3)9-6/h3-8H,1-2H2/t3-,4+,5-,6+
InChIKeyXONWNORMXRUQQC-FBXFSONDSA-N
MW130.14 g/mol
LogP-1.02
Rot. Bonds2

About [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol

[(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol (PubChem CID 100937518) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
PubChem CID100937518
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
SMILESOC[C@@H]1[C@H](CO)[C@@H]2O[C@H]12
InChIInChI=1S/C6H10O3/c7-1-3-4(2-8)6-5(3)9-6/h3-8H,1-2H2/t3-,4+,5-,6+
InChIKeyXONWNORMXRUQQC-FBXFSONDSA-N
XLogP-1.02
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol?
The IUPAC name of [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol (CID 100937518) is [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol.
What is the SMILES notation for [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol?
The canonical SMILES for [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol is OC[C@@H]1[C@H](CO)[C@@H]2O[C@H]12.
What is the InChIKey of [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol?
The InChIKey is XONWNORMXRUQQC-FBXFSONDSA-N. The full InChI is InChI=1S/C6H10O3/c7-1-3-4(2-8)6-5(3)9-6/h3-8H,1-2H2/t3-,4+,5-,6+.
What are the key properties of [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol?
[(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol has a molecular weight of 130.14 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S,4R)-3-(hydroxymethyl)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol is sourced from PubChem (CID 100937518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).