ethanol;dihydrate

C2H10O3 — CID 57498539

IUPACethanol;dihydrate
SMILESCCO.O.O
InChIInChI=1S/C2H6O.2H2O/c1-2-3;;/h3H,2H2,1H3;2*1H2
InChIKeyPHJMNLZSBSXKJE-UHFFFAOYSA-N
MW82.10 g/mol
LogP-1.65
Rot. Bonds

About ethanol;dihydrate

ethanol;dihydrate (PubChem CID 57498539) has the molecular formula C2H10O3 and a molecular weight of 82.10 g/mol. Its IUPAC name is ethanol;dihydrate.

Molecular Properties

Compound Nameethanol;dihydrate
PubChem CID57498539
Molecular FormulaC2H10O3
Molecular Weight82.10 g/mol
Exact Mass82.06
IUPAC Nameethanol;dihydrate
SMILESCCO.O.O
InChIInChI=1S/C2H6O.2H2O/c1-2-3;;/h3H,2H2,1H3;2*1H2
InChIKeyPHJMNLZSBSXKJE-UHFFFAOYSA-N
XLogP-1.65
TPSA83.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanol;dihydrate?
The IUPAC name of ethanol;dihydrate (CID 57498539) is ethanol;dihydrate.
What is the SMILES notation for ethanol;dihydrate?
The canonical SMILES for ethanol;dihydrate is CCO.O.O.
What is the InChIKey of ethanol;dihydrate?
The InChIKey is PHJMNLZSBSXKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.2H2O/c1-2-3;;/h3H,2H2,1H3;2*1H2.
What are the key properties of ethanol;dihydrate?
ethanol;dihydrate has a molecular weight of 82.10 g/mol, XLogP of -1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;dihydrate is sourced from PubChem (CID 57498539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).