acetaldehyde;ethanol;hydron

C4H11O2+ — CID 23290583

IUPACacetaldehyde;ethanol;hydron
SMILESCC=O.CCO.[H+]
InChIInChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2H,1H3/p+1
InChIKeyDSUJHXYAWUOXCC-UHFFFAOYSA-O
MW91.13 g/mol
LogP0.32
Rot. Bonds

About acetaldehyde;ethanol;hydron

acetaldehyde;ethanol;hydron (PubChem CID 23290583) has the molecular formula C4H11O2+ and a molecular weight of 91.13 g/mol. Its IUPAC name is acetaldehyde;ethanol;hydron.

Molecular Properties

Compound Nameacetaldehyde;ethanol;hydron
PubChem CID23290583
Molecular FormulaC4H11O2+
Molecular Weight91.13 g/mol
Exact Mass91.08
IUPAC Nameacetaldehyde;ethanol;hydron
SMILESCC=O.CCO.[H+]
InChIInChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2H,1H3/p+1
InChIKeyDSUJHXYAWUOXCC-UHFFFAOYSA-O
XLogP0.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.13
LogP ≤ 50.32
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;hydron?
The IUPAC name of acetaldehyde;ethanol;hydron (CID 23290583) is acetaldehyde;ethanol;hydron.
What is the SMILES notation for acetaldehyde;ethanol;hydron?
The canonical SMILES for acetaldehyde;ethanol;hydron is CC=O.CCO.[H+].
What is the InChIKey of acetaldehyde;ethanol;hydron?
The InChIKey is DSUJHXYAWUOXCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2H,1H3/p+1.
What are the key properties of acetaldehyde;ethanol;hydron?
acetaldehyde;ethanol;hydron has a molecular weight of 91.13 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethanol;hydron is sourced from PubChem (CID 23290583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).