1-(1,3-dioxol-4-yl)ethane-1,2-diol

C5H8O4 — CID 57270061

IUPAC1-(1,3-dioxol-4-yl)ethane-1,2-diol
SMILESOCC(O)C1=COCO1
InChIInChI=1S/C5H8O4/c6-1-4(7)5-2-8-3-9-5/h2,4,6-7H,1,3H2
InChIKeyFSOVJCWLYXBIHE-UHFFFAOYSA-N
MW132.11 g/mol
LogP-0.81
Rot. Bonds2

About 1-(1,3-dioxol-4-yl)ethane-1,2-diol

1-(1,3-dioxol-4-yl)ethane-1,2-diol (PubChem CID 57270061) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 1-(1,3-dioxol-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1,3-dioxol-4-yl)ethane-1,2-diol
PubChem CID57270061
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name1-(1,3-dioxol-4-yl)ethane-1,2-diol
SMILESOCC(O)C1=COCO1
InChIInChI=1S/C5H8O4/c6-1-4(7)5-2-8-3-9-5/h2,4,6-7H,1,3H2
InChIKeyFSOVJCWLYXBIHE-UHFFFAOYSA-N
XLogP-0.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxol-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(1,3-dioxol-4-yl)ethane-1,2-diol (CID 57270061) is 1-(1,3-dioxol-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1,3-dioxol-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1,3-dioxol-4-yl)ethane-1,2-diol is OCC(O)C1=COCO1.
What is the InChIKey of 1-(1,3-dioxol-4-yl)ethane-1,2-diol?
The InChIKey is FSOVJCWLYXBIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-1-4(7)5-2-8-3-9-5/h2,4,6-7H,1,3H2.
What are the key properties of 1-(1,3-dioxol-4-yl)ethane-1,2-diol?
1-(1,3-dioxol-4-yl)ethane-1,2-diol has a molecular weight of 132.11 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxol-4-yl)ethane-1,2-diol is sourced from PubChem (CID 57270061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).