acetaldehyde;ethanol;methanol

C6H18O4 — CID 159165678

IUPACacetaldehyde;ethanol;methanol
SMILESCC=O.CCO.CO.CO
InChIInChI=1S/C2H6O.C2H4O.2CH4O/c2*1-2-3;2*1-2/h3H,2H2,1H3;2H,1H3;2*2H,1H3
InChIKeyKLAQEYXEMKXINA-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.58
Rot. Bonds

About acetaldehyde;ethanol;methanol

acetaldehyde;ethanol;methanol (PubChem CID 159165678) has the molecular formula C6H18O4 and a molecular weight of 154.21 g/mol. Its IUPAC name is acetaldehyde;ethanol;methanol.

Molecular Properties

Compound Nameacetaldehyde;ethanol;methanol
PubChem CID159165678
Molecular FormulaC6H18O4
Molecular Weight154.21 g/mol
Exact Mass154.12
IUPAC Nameacetaldehyde;ethanol;methanol
SMILESCC=O.CCO.CO.CO
InChIInChI=1S/C2H6O.C2H4O.2CH4O/c2*1-2-3;2*1-2/h3H,2H2,1H3;2H,1H3;2*2H,1H3
InChIKeyKLAQEYXEMKXINA-UHFFFAOYSA-N
XLogP-0.58
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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;methanol?
The IUPAC name of acetaldehyde;ethanol;methanol (CID 159165678) is acetaldehyde;ethanol;methanol.
What is the SMILES notation for acetaldehyde;ethanol;methanol?
The canonical SMILES for acetaldehyde;ethanol;methanol is CC=O.CCO.CO.CO.
What is the InChIKey of acetaldehyde;ethanol;methanol?
The InChIKey is KLAQEYXEMKXINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.C2H4O.2CH4O/c2*1-2-3;2*1-2/h3H,2H2,1H3;2H,1H3;2*2H,1H3.
What are the key properties of acetaldehyde;ethanol;methanol?
acetaldehyde;ethanol;methanol has a molecular weight of 154.21 g/mol, XLogP of -0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethanol;methanol is sourced from PubChem (CID 159165678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).