(4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)

C116H182O10 — CID 157141889

IUPAC(4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)
SMILESCC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC.CC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCC.CC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCC.CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC.CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC
InChIInChI=1S/C24H38O2.4C23H36O2/c1-5-7-9-11-12-16-20-24(4,26)22-18-14-13-17-21-23(3,25)19-15-10-8-6-2;2*1-4-6-8-10-12-16-20-23(3,25)21-17-13-11-15-19-22(24)18-14-9-7-5-2;2*1-4-6-8-10-11-14-18-22(24)19-15-12-13-17-21-23(3,25)20-16-9-7-5-2/h7,9-10,12-18,21-22,25-26H,5-6,8,11,19-20H2,1-4H3;4*6,8-9,11-17,19,21-22,24-25H,4-5,7,10,18,20H2,1-3H3/b9-7-,14-13+,15-10-,16-12-,21-17+,22-18-;2*8-6-,13-11+,14-9-,16-12-,19-15+,21-17-;2*8-6-,13-12+,14-11-,16-9-,19-15-,21-17+/t;4*22-,23?/m.0000/s1
InChIKeyAKGYQTMOPLNJOU-APFALJJBSA-N
MW1736.72 g/mol
LogP29.47
Rot. Bonds65

About (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)

(4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol) (PubChem CID 157141889) has the molecular formula C116H182O10 and a molecular weight of 1736.72 g/mol. Its IUPAC name is (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol).

Molecular Properties

Compound Name(4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)
PubChem CID157141889
Molecular FormulaC116H182O10
Molecular Weight1736.72 g/mol
Exact Mass1735.37
IUPAC Name(4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)
SMILESCC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC.CC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCC.CC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCC.CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC.CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC
InChIInChI=1S/C24H38O2.4C23H36O2/c1-5-7-9-11-12-16-20-24(4,26)22-18-14-13-17-21-23(3,25)19-15-10-8-6-2;2*1-4-6-8-10-12-16-20-23(3,25)21-17-13-11-15-19-22(24)18-14-9-7-5-2;2*1-4-6-8-10-11-14-18-22(24)19-15-12-13-17-21-23(3,25)20-16-9-7-5-2/h7,9-10,12-18,21-22,25-26H,5-6,8,11,19-20H2,1-4H3;4*6,8-9,11-17,19,21-22,24-25H,4-5,7,10,18,20H2,1-3H3/b9-7-,14-13+,15-10-,16-12-,21-17+,22-18-;2*8-6-,13-11+,14-9-,16-12-,19-15+,21-17-;2*8-6-,13-12+,14-11-,16-9-,19-15-,21-17+/t;4*22-,23?/m.0000/s1
InChIKeyAKGYQTMOPLNJOU-APFALJJBSA-N
XLogP29.47
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds65
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.72
LogP ≤ 529.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol) with MolForge

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Related Compounds

(4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol
CID 118041907
(3Z,6S,7E,9Z,12Z,14E,16S,18Z)-docosa-3,7,9,12,14,18-hexaene-6,16-diol
CID 87522953
(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
CID 89023941
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385
(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
(3Z,6S,7E,9Z,12Z,14E,16S,18Z)-9,10,12,13-tetradeuteriodocosa-3,7,9,12,14,18-hexaene-6,16-diol
CID 59372848
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
(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
(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal
CID 88953533
(4E,7E,10E,13E,17E,19E)-16-hydroxydocosa-4,7,10,13,17,19-hexaenoic acid
CID 171376368

Frequently Asked Questions

What is the IUPAC name of (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)?
The IUPAC name of (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol) (CID 157141889) is (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol).
What is the SMILES notation for (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)?
The canonical SMILES for (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol) is CC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC.CC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCC.CC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCC.CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC.CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\C(C)(O)C/C=C\CCC.
What is the InChIKey of (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)?
The InChIKey is AKGYQTMOPLNJOU-APFALJJBSA-N. The full InChI is InChI=1S/C24H38O2.4C23H36O2/c1-5-7-9-11-12-16-20-24(4,26)22-18-14-13-17-21-23(3,25)19-15-10-8-6-2;2*1-4-6-8-10-12-16-20-23(3,25)21-17-13-11-15-19-22(24)18-14-9-7-5-2;2*1-4-6-8-10-11-14-18-22(24)19-15-12-13-17-21-23(3,25)20-16-9-7-5-2/h7,9-10,12-18,21-22,25-26H,5-6,8,11,19-20H2,1-4H3;4*6,8-9,11-17,19,21-22,24-25H,4-5,7,10,18,20H2,1-3H3/b9-7-,14-13+,15-10-,16-12-,21-17+,22-18-;2*8-6-,13-11+,14-9-,16-12-,19-15+,21-17-;2*8-6-,13-12+,14-11-,16-9-,19-15-,21-17+/t;4*22-,23?/m.0000/s1.
What are the key properties of (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol)?
(4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol) has a molecular weight of 1736.72 g/mol, XLogP of 29.47, 65 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E,10E,12Z,16Z,19Z)-7,14-dimethyldocosa-4,8,10,12,16,19-hexaene-7,14-diol;bis((4Z,7S,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol);bis((4Z,8E,10E,12Z,14S,16Z,19Z)-7-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol) is sourced from PubChem (CID 157141889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).