acetaldehyde;propanal

C5H10O2 — CID 22450779

IUPACacetaldehyde;propanal
SMILESCC=O.CCC=O
InChIInChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h3H,2H2,1H3;2H,1H3
InChIKeyOUUKRYYWNOITHR-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.80
Rot. Bonds1

About acetaldehyde;propanal

acetaldehyde;propanal (PubChem CID 22450779) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is acetaldehyde;propanal.

Molecular Properties

Compound Nameacetaldehyde;propanal
PubChem CID22450779
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Nameacetaldehyde;propanal
SMILESCC=O.CCC=O
InChIInChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h3H,2H2,1H3;2H,1H3
InChIKeyOUUKRYYWNOITHR-UHFFFAOYSA-N
XLogP0.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 acetaldehyde;propanal?
The IUPAC name of acetaldehyde;propanal (CID 22450779) is acetaldehyde;propanal.
What is the SMILES notation for acetaldehyde;propanal?
The canonical SMILES for acetaldehyde;propanal is CC=O.CCC=O.
What is the InChIKey of acetaldehyde;propanal?
The InChIKey is OUUKRYYWNOITHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h3H,2H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;propanal?
acetaldehyde;propanal has a molecular weight of 102.13 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;propanal is sourced from PubChem (CID 22450779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).