ethane-1,2-diol;dihydrate

C2H10O4 — CID 71414876

IUPACethane-1,2-diol;dihydrate
SMILESO.O.OCCO
InChIInChI=1S/C2H6O2.2H2O/c3-1-2-4;;/h3-4H,1-2H2;2*1H2
InChIKeyUXDIJKVUSXILLS-UHFFFAOYSA-N
MW98.10 g/mol
LogP-2.68
Rot. Bonds1

About ethane-1,2-diol;dihydrate

ethane-1,2-diol;dihydrate (PubChem CID 71414876) has the molecular formula C2H10O4 and a molecular weight of 98.10 g/mol. Its IUPAC name is ethane-1,2-diol;dihydrate.

Molecular Properties

Compound Nameethane-1,2-diol;dihydrate
PubChem CID71414876
Molecular FormulaC2H10O4
Molecular Weight98.10 g/mol
Exact Mass98.06
IUPAC Nameethane-1,2-diol;dihydrate
SMILESO.O.OCCO
InChIInChI=1S/C2H6O2.2H2O/c3-1-2-4;;/h3-4H,1-2H2;2*1H2
InChIKeyUXDIJKVUSXILLS-UHFFFAOYSA-N
XLogP-2.68
TPSA103.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;dihydrate?
The IUPAC name of ethane-1,2-diol;dihydrate (CID 71414876) is ethane-1,2-diol;dihydrate.
What is the SMILES notation for ethane-1,2-diol;dihydrate?
The canonical SMILES for ethane-1,2-diol;dihydrate is O.O.OCCO.
What is the InChIKey of ethane-1,2-diol;dihydrate?
The InChIKey is UXDIJKVUSXILLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.2H2O/c3-1-2-4;;/h3-4H,1-2H2;2*1H2.
What are the key properties of ethane-1,2-diol;dihydrate?
ethane-1,2-diol;dihydrate has a molecular weight of 98.10 g/mol, XLogP of -2.68, 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;dihydrate is sourced from PubChem (CID 71414876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).