oxolane-2,3-diol

C4H8O3 — CID 14778197

IUPACoxolane-2,3-diol
SMILESOC1CCOC1O
InChIInChI=1S/C4H8O3/c5-3-1-2-7-4(3)6/h3-6H,1-2H2
InChIKeyLBTOSGHVABTIRX-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.91
Rot. Bonds

About oxolane-2,3-diol

oxolane-2,3-diol (PubChem CID 14778197) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is oxolane-2,3-diol.

Molecular Properties

Compound Nameoxolane-2,3-diol
PubChem CID14778197
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Nameoxolane-2,3-diol
SMILESOC1CCOC1O
InChIInChI=1S/C4H8O3/c5-3-1-2-7-4(3)6/h3-6H,1-2H2
InChIKeyLBTOSGHVABTIRX-UHFFFAOYSA-N
XLogP-0.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolane-2,3-diol?
The IUPAC name of oxolane-2,3-diol (CID 14778197) is oxolane-2,3-diol.
What is the SMILES notation for oxolane-2,3-diol?
The canonical SMILES for oxolane-2,3-diol is OC1CCOC1O.
What is the InChIKey of oxolane-2,3-diol?
The InChIKey is LBTOSGHVABTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c5-3-1-2-7-4(3)6/h3-6H,1-2H2.
What are the key properties of oxolane-2,3-diol?
oxolane-2,3-diol has a molecular weight of 104.11 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,3-diol is sourced from PubChem (CID 14778197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).