(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal

C22H30O — CID 87856507

IUPAC(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C=C/C=O
InChIInChI=1S/C22H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-22H,2,5,8,11,14,17H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18+,21-20+
InChIKeyUIKHMFXGJQAGTE-CZPQCBLOSA-N
MW310.48 g/mol
LogP6.44
Rot. Bonds13

About (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal

(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal (PubChem CID 87856507) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal.

Molecular Properties

Compound Name(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
PubChem CID87856507
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C=C/C=O
InChIInChI=1S/C22H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-22H,2,5,8,11,14,17H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18+,21-20+
InChIKeyUIKHMFXGJQAGTE-CZPQCBLOSA-N
XLogP6.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal with MolForge

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Related Compounds

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(2E,4E,7E)-deca-2,4,7-trienal
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(2E,7Z)-deca-2,4,7-trienal
CID 86595204
(2E)-octa-2,5-dienal
CID 152586701
(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
(2E,4E,8Z,11Z)-tetradeca-2,4,8,11-tetraenal
CID 10081647
(2Z,4E)-octadeca-2,4,6,15-tetraenal
CID 175749162
pentadeca-3,6,9,12-tetraene
CID 123748490
(2Z,4Z,7E)-deca-2,4,7-triene
CID 142167538
henicosa-3,6,9,12,15,18-hexaenal
CID 123986237
(3Z,6Z)-nona-3,6-dienal
CID 5352808
docosa-2,4,7,10,13,16,19-heptaen-1-ol
CID 74387239

Frequently Asked Questions

What is the IUPAC name of (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal?
The IUPAC name of (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal (CID 87856507) is (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal.
What is the SMILES notation for (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal?
The canonical SMILES for (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal?
The InChIKey is UIKHMFXGJQAGTE-CZPQCBLOSA-N. The full InChI is InChI=1S/C22H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,6-7,9-10,12-13,15-16,18-22H,2,5,8,11,14,17H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18+,21-20+.
What are the key properties of (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal?
(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal has a molecular weight of 310.48 g/mol, XLogP of 6.44, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal is sourced from PubChem (CID 87856507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).