ethane-1,2-diol

C2H6O2 — CID 174

IUPACethane-1,2-diol
SMILESOCCO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
MW62.07 g/mol
LogP-1.03
Rot. Bonds1

About ethane-1,2-diol

ethane-1,2-diol (PubChem CID 174) has the molecular formula C2H6O2 and a molecular weight of 62.07 g/mol. Its IUPAC name is ethane-1,2-diol.

Molecular Properties

Compound Nameethane-1,2-diol
PubChem CID174
Molecular FormulaC2H6O2
Molecular Weight62.07 g/mol
Exact Mass62.04
IUPAC Nameethane-1,2-diol
SMILESOCCO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
XLogP-1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.07
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1,1,2,2-2H4)Ethane-1,2-(2H2)diol
CID 2733139
Ethylene glycol-(OD)2
CID 10986148
1,2-Ethanediol, sodium salt (1:1)
CID 23678159
1,2-Ethanediol, lithium salt (1:1)
CID 23688918
1,2-Ethane-1,1,2,2-d4-diol
CID 2733137
(~13~C_2_)Ethane-1,2-diol
CID 16213434
Poly(ethylene glycol) dimethyl ether (NHD)
CID 445171
Ethylene glycol water
CID 20437942
Ethylene glycol fluoride
CID 19906354
Ethane-1,2-diol--water (1/2)
CID 71414876
Ethylene glycol monosodium salt
CID 86592871
Hydroxyethyl hydroperoxide
CID 14819036

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol?
The IUPAC name of ethane-1,2-diol (CID 174) 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.
What is the InChIKey of ethane-1,2-diol?
The InChIKey is LYCAIKOWRPUZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2.
What are the key properties of ethane-1,2-diol?
ethane-1,2-diol has a molecular weight of 62.07 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol is sourced from PubChem (CID 174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).