19-oxodocosanal

C22H42O2 — CID 54396259

IUPAC19-oxodocosanal
SMILESCCCC(=O)CCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C22H42O2/c1-2-19-22(24)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-21-23/h21H,2-20H2,1H3
InChIKeyBSCNAXZBBALCRS-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.19
Rot. Bonds20

About 19-oxodocosanal

19-oxodocosanal (PubChem CID 54396259) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 19-oxodocosanal.

Molecular Properties

Compound Name19-oxodocosanal
PubChem CID54396259
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name19-oxodocosanal
SMILESCCCC(=O)CCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C22H42O2/c1-2-19-22(24)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-21-23/h21H,2-20H2,1H3
InChIKeyBSCNAXZBBALCRS-UHFFFAOYSA-N
XLogP7.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-oxotetradecanal
CID 13272684
8-oxodecanal
CID 118225653
tridecane-4,10-dione
CID 158766358
9-oxododec-2-enal
CID 175604885
6,19-dioxononadecanoic acid
CID 174486192
icosane-4,15-dione
CID 123287171
octadecan-4-one
CID 551672
dodec-1-ene-1,9-dione
CID 175604884
(12Z,15Z)-henicosa-12,15-dien-4-one
CID 10946721
tridecane-4,9-dione
CID 166698782
(E)-triacont-15-ene-8,23-dione
CID 11849500
(11Z)-tetradeca-11,13-dien-4-one
CID 141483115

Frequently Asked Questions

What is the IUPAC name of 19-oxodocosanal?
The IUPAC name of 19-oxodocosanal (CID 54396259) is 19-oxodocosanal.
What is the SMILES notation for 19-oxodocosanal?
The canonical SMILES for 19-oxodocosanal is CCCC(=O)CCCCCCCCCCCCCCCCCC=O.
What is the InChIKey of 19-oxodocosanal?
The InChIKey is BSCNAXZBBALCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-2-19-22(24)20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-21-23/h21H,2-20H2,1H3.
What are the key properties of 19-oxodocosanal?
19-oxodocosanal has a molecular weight of 338.58 g/mol, XLogP of 7.19, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-oxodocosanal is sourced from PubChem (CID 54396259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).