ethanol;hydrate

C2H8O2 — CID 19096565

IUPACethanol;hydrate
SMILESCCO.O
InChIInChI=1S/C2H6O.H2O/c1-2-3;/h3H,2H2,1H3;1H2
InChIKeyIDGUHHHQCWSQLU-UHFFFAOYSA-N
MW64.08 g/mol
LogP-0.83
Rot. Bonds

About ethanol;hydrate

ethanol;hydrate (PubChem CID 19096565) has the molecular formula C2H8O2 and a molecular weight of 64.08 g/mol. Its IUPAC name is ethanol;hydrate.

Molecular Properties

Compound Nameethanol;hydrate
PubChem CID19096565
Molecular FormulaC2H8O2
Molecular Weight64.08 g/mol
Exact Mass64.05
IUPAC Nameethanol;hydrate
SMILESCCO.O
InChIInChI=1S/C2H6O.H2O/c1-2-3;/h3H,2H2,1H3;1H2
InChIKeyIDGUHHHQCWSQLU-UHFFFAOYSA-N
XLogP-0.83
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.08
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethanol;hydrate?
The IUPAC name of ethanol;hydrate (CID 19096565) is ethanol;hydrate.
What is the SMILES notation for ethanol;hydrate?
The canonical SMILES for ethanol;hydrate is CCO.O.
What is the InChIKey of ethanol;hydrate?
The InChIKey is IDGUHHHQCWSQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.H2O/c1-2-3;/h3H,2H2,1H3;1H2.
What are the key properties of ethanol;hydrate?
ethanol;hydrate has a molecular weight of 64.08 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hydrate is sourced from PubChem (CID 19096565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).