docosa-4,8,12,15,19-pentaenal

C22H34O — CID 54481142

IUPACdocosa-4,8,12,15,19-pentaenal
SMILESCCC=CCCC=CCC=CCCC=CCCC=CCCC=O
InChIInChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,7-8,10-11,14-15,18-19,22H,2,5-6,9,12-13,16-17,20-21H2,1H3
InChIKeyQOBCZGBIEKFWPH-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.89
Rot. Bonds15

About docosa-4,8,12,15,19-pentaenal

docosa-4,8,12,15,19-pentaenal (PubChem CID 54481142) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is docosa-4,8,12,15,19-pentaenal.

Molecular Properties

Compound Namedocosa-4,8,12,15,19-pentaenal
PubChem CID54481142
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Namedocosa-4,8,12,15,19-pentaenal
SMILESCCC=CCCC=CCC=CCCC=CCCC=CCCC=O
InChIInChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,7-8,10-11,14-15,18-19,22H,2,5-6,9,12-13,16-17,20-21H2,1H3
InChIKeyQOBCZGBIEKFWPH-UHFFFAOYSA-N
XLogP6.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
(Z)-hex-3-enal
CID 162039404
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
CID 10081647
pentadeca-3,6,9,12-tetraene
CID 123748490
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(E)-oct-4-enedial
CID 5283333
(4Z,7Z,10Z,13Z,16E,19Z)-17-nitrodocosa-4,7,10,13,16,19-hexaenal
CID 173492308
(4E,7Z,10E,13E,16E,19E)-7-nitrodocosa-4,7,10,13,16,19-hexaenal
CID 173492310
(E)-heptadec-14-enal
CID 5367667
(4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal
CID 173492109

Frequently Asked Questions

What is the IUPAC name of docosa-4,8,12,15,19-pentaenal?
The IUPAC name of docosa-4,8,12,15,19-pentaenal (CID 54481142) is docosa-4,8,12,15,19-pentaenal.
What is the SMILES notation for docosa-4,8,12,15,19-pentaenal?
The canonical SMILES for docosa-4,8,12,15,19-pentaenal is CCC=CCCC=CCC=CCCC=CCCC=CCCC=O.
What is the InChIKey of docosa-4,8,12,15,19-pentaenal?
The InChIKey is QOBCZGBIEKFWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,7-8,10-11,14-15,18-19,22H,2,5-6,9,12-13,16-17,20-21H2,1H3.
What are the key properties of docosa-4,8,12,15,19-pentaenal?
docosa-4,8,12,15,19-pentaenal has a molecular weight of 314.51 g/mol, XLogP of 6.89, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docosa-4,8,12,15,19-pentaenal is sourced from PubChem (CID 54481142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).