acetaldehyde;hydrate

C2H6O2 — CID 19606697

IUPACacetaldehyde;hydrate
SMILESCC=O.O
InChIInChI=1S/C2H4O.H2O/c1-2-3;/h2H,1H3;1H2
InChIKeyUPUZLJDFULGKCC-UHFFFAOYSA-N
MW62.07 g/mol
LogP-0.62
Rot. Bonds

About acetaldehyde;hydrate

acetaldehyde;hydrate (PubChem CID 19606697) has the molecular formula C2H6O2 and a molecular weight of 62.07 g/mol. Its IUPAC name is acetaldehyde;hydrate.

Molecular Properties

Compound Nameacetaldehyde;hydrate
PubChem CID19606697
Molecular FormulaC2H6O2
Molecular Weight62.07 g/mol
Exact Mass62.04
IUPAC Nameacetaldehyde;hydrate
SMILESCC=O.O
InChIInChI=1S/C2H4O.H2O/c1-2-3;/h2H,1H3;1H2
InChIKeyUPUZLJDFULGKCC-UHFFFAOYSA-N
XLogP-0.62
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.07
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;hydrate?
The IUPAC name of acetaldehyde;hydrate (CID 19606697) is acetaldehyde;hydrate.
What is the SMILES notation for acetaldehyde;hydrate?
The canonical SMILES for acetaldehyde;hydrate is CC=O.O.
What is the InChIKey of acetaldehyde;hydrate?
The InChIKey is UPUZLJDFULGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.H2O/c1-2-3;/h2H,1H3;1H2.
What are the key properties of acetaldehyde;hydrate?
acetaldehyde;hydrate has a molecular weight of 62.07 g/mol, XLogP of -0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;hydrate is sourced from PubChem (CID 19606697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).