acetaldehyde;formaldehyde;propanal

C6H12O3 — CID 88704216

IUPACacetaldehyde;formaldehyde;propanal
SMILESC=O.CC=O.CCC=O
InChIInChI=1S/C3H6O.C2H4O.CH2O/c1-2-3-4;1-2-3;1-2/h3H,2H2,1H3;2H,1H3;1H2
InChIKeyFVUIVHPWPXJLKV-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.62
Rot. Bonds1

About acetaldehyde;formaldehyde;propanal

acetaldehyde;formaldehyde;propanal (PubChem CID 88704216) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is acetaldehyde;formaldehyde;propanal.

Molecular Properties

Compound Nameacetaldehyde;formaldehyde;propanal
PubChem CID88704216
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Nameacetaldehyde;formaldehyde;propanal
SMILESC=O.CC=O.CCC=O
InChIInChI=1S/C3H6O.C2H4O.CH2O/c1-2-3-4;1-2-3;1-2/h3H,2H2,1H3;2H,1H3;1H2
InChIKeyFVUIVHPWPXJLKV-UHFFFAOYSA-N
XLogP0.62
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;formaldehyde;propanal?
The IUPAC name of acetaldehyde;formaldehyde;propanal (CID 88704216) is acetaldehyde;formaldehyde;propanal.
What is the SMILES notation for acetaldehyde;formaldehyde;propanal?
The canonical SMILES for acetaldehyde;formaldehyde;propanal is C=O.CC=O.CCC=O.
What is the InChIKey of acetaldehyde;formaldehyde;propanal?
The InChIKey is FVUIVHPWPXJLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4O.CH2O/c1-2-3-4;1-2-3;1-2/h3H,2H2,1H3;2H,1H3;1H2.
What are the key properties of acetaldehyde;formaldehyde;propanal?
acetaldehyde;formaldehyde;propanal has a molecular weight of 132.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;formaldehyde;propanal is sourced from PubChem (CID 88704216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).