ethane-1,2-diol

C4H12O4 — CID 18680530

IUPACethane-1,2-diol
SMILESOCCO.OCCO
InChIInChI=1S/2C2H6O2/c2*3-1-2-4/h2*3-4H,1-2H2
InChIKeyCAPAZTWTGPAFQE-UHFFFAOYSA-N
MW124.14 g/mol
LogP-2.06
Rot. Bonds2

About ethane-1,2-diol

ethane-1,2-diol (PubChem CID 18680530) has the molecular formula C4H12O4 and a molecular weight of 124.14 g/mol. Its IUPAC name is ethane-1,2-diol.

Molecular Properties

Compound Nameethane-1,2-diol
PubChem CID18680530
Molecular FormulaC4H12O4
Molecular Weight124.14 g/mol
Exact Mass124.07
IUPAC Nameethane-1,2-diol
SMILESOCCO.OCCO
InChIInChI=1S/2C2H6O2/c2*3-1-2-4/h2*3-4H,1-2H2
InChIKeyCAPAZTWTGPAFQE-UHFFFAOYSA-N
XLogP-2.06
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol?
The IUPAC name of ethane-1,2-diol (CID 18680530) is ethane-1,2-diol.
What is the SMILES notation for ethane-1,2-diol?
The canonical SMILES for ethane-1,2-diol is OCCO.OCCO.
What is the InChIKey of ethane-1,2-diol?
The InChIKey is CAPAZTWTGPAFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6O2/c2*3-1-2-4/h2*3-4H,1-2H2.
What are the key properties of ethane-1,2-diol?
ethane-1,2-diol has a molecular weight of 124.14 g/mol, XLogP of -2.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol is sourced from PubChem (CID 18680530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).