acetaldehyde;ethanol

C4H10O2 — CID 22280975

IUPACacetaldehyde;ethanol
SMILESCC=O.CCO
InChIInChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2H,1H3
InChIKeyDSUJHXYAWUOXCC-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.20
Rot. Bonds

About acetaldehyde;ethanol

acetaldehyde;ethanol (PubChem CID 22280975) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is acetaldehyde;ethanol.

Molecular Properties

Compound Nameacetaldehyde;ethanol
PubChem CID22280975
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Nameacetaldehyde;ethanol
SMILESCC=O.CCO
InChIInChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2H,1H3
InChIKeyDSUJHXYAWUOXCC-UHFFFAOYSA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;ethanol?
The IUPAC name of acetaldehyde;ethanol (CID 22280975) is acetaldehyde;ethanol.
What is the SMILES notation for acetaldehyde;ethanol?
The canonical SMILES for acetaldehyde;ethanol is CC=O.CCO.
What is the InChIKey of acetaldehyde;ethanol?
The InChIKey is DSUJHXYAWUOXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;ethanol?
acetaldehyde;ethanol has a molecular weight of 90.12 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethanol is sourced from PubChem (CID 22280975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).