oxaldehyde;propanal

C5H8O3 — CID 19694734

IUPACoxaldehyde;propanal
SMILESCCC=O.O=CC=O
InChIInChI=1S/C3H6O.C2H2O2/c1-2-3-4;3-1-2-4/h3H,2H2,1H3;1-2H
InChIKeyFDFMJEZKMHJQRA-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.02
Rot. Bonds2

About oxaldehyde;propanal

oxaldehyde;propanal (PubChem CID 19694734) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is oxaldehyde;propanal.

Molecular Properties

Compound Nameoxaldehyde;propanal
PubChem CID19694734
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Nameoxaldehyde;propanal
SMILESCCC=O.O=CC=O
InChIInChI=1S/C3H6O.C2H2O2/c1-2-3-4;3-1-2-4/h3H,2H2,1H3;1-2H
InChIKeyFDFMJEZKMHJQRA-UHFFFAOYSA-N
XLogP-0.02
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butanal
CID 261
Propanal
CID 527
Isobutyraldehyde
CID 6561
Pivalaldehyde
CID 12417
Propanal, 3-methoxy-
CID 137720
N-Butyraldehyde-D8
CID 12198210
Propionaldehyde-2,2,3,3,3-D5
CID 56845944
Propionaldehyde-2,2-d2
CID 12201346
(1-~13~C)Propanal
CID 71309167
3-Dimethylselenopropionaldehyde
CID 90659183
Propanedial, dimethyl-
CID 136920
Propanal-d
CID 12201347

Frequently Asked Questions

What is the IUPAC name of oxaldehyde;propanal?
The IUPAC name of oxaldehyde;propanal (CID 19694734) is oxaldehyde;propanal.
What is the SMILES notation for oxaldehyde;propanal?
The canonical SMILES for oxaldehyde;propanal is CCC=O.O=CC=O.
What is the InChIKey of oxaldehyde;propanal?
The InChIKey is FDFMJEZKMHJQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H2O2/c1-2-3-4;3-1-2-4/h3H,2H2,1H3;1-2H.
What are the key properties of oxaldehyde;propanal?
oxaldehyde;propanal has a molecular weight of 116.12 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;propanal is sourced from PubChem (CID 19694734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).