3-(hydroxymethyl)oxolane-2,2-diol

C5H10O4 — CID 54251958

IUPAC3-(hydroxymethyl)oxolane-2,2-diol
SMILESOCC1CCOC1(O)O
InChIInChI=1S/C5H10O4/c6-3-4-1-2-9-5(4,7)8/h4,6-8H,1-3H2
InChIKeyYOLHHYQVEWSPCA-UHFFFAOYSA-N
MW134.13 g/mol
LogP-1.35
Rot. Bonds1

About 3-(hydroxymethyl)oxolane-2,2-diol

3-(hydroxymethyl)oxolane-2,2-diol (PubChem CID 54251958) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3-(hydroxymethyl)oxolane-2,2-diol.

Molecular Properties

Compound Name3-(hydroxymethyl)oxolane-2,2-diol
PubChem CID54251958
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name3-(hydroxymethyl)oxolane-2,2-diol
SMILESOCC1CCOC1(O)O
InChIInChI=1S/C5H10O4/c6-3-4-1-2-9-5(4,7)8/h4,6-8H,1-3H2
InChIKeyYOLHHYQVEWSPCA-UHFFFAOYSA-N
XLogP-1.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)oxolane-2,2-diol?
The IUPAC name of 3-(hydroxymethyl)oxolane-2,2-diol (CID 54251958) is 3-(hydroxymethyl)oxolane-2,2-diol.
What is the SMILES notation for 3-(hydroxymethyl)oxolane-2,2-diol?
The canonical SMILES for 3-(hydroxymethyl)oxolane-2,2-diol is OCC1CCOC1(O)O.
What is the InChIKey of 3-(hydroxymethyl)oxolane-2,2-diol?
The InChIKey is YOLHHYQVEWSPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c6-3-4-1-2-9-5(4,7)8/h4,6-8H,1-3H2.
What are the key properties of 3-(hydroxymethyl)oxolane-2,2-diol?
3-(hydroxymethyl)oxolane-2,2-diol has a molecular weight of 134.13 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)oxolane-2,2-diol is sourced from PubChem (CID 54251958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).