(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal

C22H32O2 — CID 88953533

IUPAC(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal
SMILESCC/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\C/C=C\CCC=O
InChIInChI=1S/C22H32O2/c1-2-3-4-16-19-22(24)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-23/h3-5,7-8,10-11,13-14,16-17,19,21-22,24H,2,6,9,12,15,18,20H2,1H3/b4-3-,7-5-,10-8-,13-11-,17-14-,19-16+
InChIKeyGSJQQAQBBFZRRM-DLADYCGASA-N
MW328.50 g/mol
LogP5.63
Rot. Bonds14

About (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal

(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal (PubChem CID 88953533) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal
PubChem CID88953533
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal
SMILESCC/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\C/C=C\CCC=O
InChIInChI=1S/C22H32O2/c1-2-3-4-16-19-22(24)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-23/h3-5,7-8,10-11,13-14,16-17,19,21-22,24H,2,6,9,12,15,18,20H2,1H3/b4-3-,7-5-,10-8-,13-11-,17-14-,19-16+
InChIKeyGSJQQAQBBFZRRM-DLADYCGASA-N
XLogP5.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal with MolForge

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Related Compounds

(4E,7E,10E,13E,17E,19E)-16-hydroxydocosa-4,7,10,13,17,19-hexaenoic acid
CID 171376368
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(3Z,6S,7E,9Z,12Z,14E,16S,18Z)-docosa-3,7,9,12,14,18-hexaene-6,16-diol
CID 87522953
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385
(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
CID 89023941
(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123964857
(4Z,7S,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 173048794
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-4,8,10,13,15,19-hexaenoate
CID 146681088

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal?
The IUPAC name of (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal (CID 88953533) is (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal.
What is the SMILES notation for (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal?
The canonical SMILES for (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal is CC/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\C/C=C\CCC=O.
What is the InChIKey of (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal?
The InChIKey is GSJQQAQBBFZRRM-DLADYCGASA-N. The full InChI is InChI=1S/C22H32O2/c1-2-3-4-16-19-22(24)20-17-14-12-10-8-6-5-7-9-11-13-15-18-21-23/h3-5,7-8,10-11,13-14,16-17,19,21-22,24H,2,6,9,12,15,18,20H2,1H3/b4-3-,7-5-,10-8-,13-11-,17-14-,19-16+.
What are the key properties of (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal?
(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal has a molecular weight of 328.50 g/mol, XLogP of 5.63, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal is sourced from PubChem (CID 88953533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).