oxane-2,5-diol

C5H10O3 — CID 14502564

IUPACoxane-2,5-diol
SMILESOC1CCC(O)OC1
InChIInChI=1S/C5H10O3/c6-4-1-2-5(7)8-3-4/h4-7H,1-3H2
InChIKeySQUXWJDCRQVSDZ-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.52
Rot. Bonds

About oxane-2,5-diol

oxane-2,5-diol (PubChem CID 14502564) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is oxane-2,5-diol.

Molecular Properties

Compound Nameoxane-2,5-diol
PubChem CID14502564
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Nameoxane-2,5-diol
SMILESOC1CCC(O)OC1
InChIInChI=1S/C5H10O3/c6-4-1-2-5(7)8-3-4/h4-7H,1-3H2
InChIKeySQUXWJDCRQVSDZ-UHFFFAOYSA-N
XLogP-0.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxane-2,5-diol?
The IUPAC name of oxane-2,5-diol (CID 14502564) is oxane-2,5-diol.
What is the SMILES notation for oxane-2,5-diol?
The canonical SMILES for oxane-2,5-diol is OC1CCC(O)OC1.
What is the InChIKey of oxane-2,5-diol?
The InChIKey is SQUXWJDCRQVSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c6-4-1-2-5(7)8-3-4/h4-7H,1-3H2.
What are the key properties of oxane-2,5-diol?
oxane-2,5-diol has a molecular weight of 118.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-2,5-diol is sourced from PubChem (CID 14502564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).