(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid

C25H38O3 — CID 156679770

IUPAC(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid
SMILESCC/C=C\CC(C)(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC(C)(C)C(=O)O
InChIInChI=1S/C25H38O3/c1-5-6-17-21-25(4,28)22-19-16-14-12-10-8-7-9-11-13-15-18-20-24(2,3)23(26)27/h6,8-11,14-19,22,28H,5,7,12-13,20-21H2,1-4H3,(H,26,27)/b10-8-,11-9-,16-14-,17-6-,18-15-,22-19+
InChIKeyMHNKUQRPSZWXPI-JBTVTZNQSA-N
MW386.58 g/mol
LogP6.55
Rot. Bonds14

About (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid

(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid (PubChem CID 156679770) has the molecular formula C25H38O3 and a molecular weight of 386.58 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid
PubChem CID156679770
Molecular FormulaC25H38O3
Molecular Weight386.58 g/mol
Exact Mass386.28
IUPAC Name(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid
SMILESCC/C=C\CC(C)(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC(C)(C)C(=O)O
InChIInChI=1S/C25H38O3/c1-5-6-17-21-25(4,28)22-19-16-14-12-10-8-7-9-11-13-15-18-20-24(2,3)23(26)27/h6,8-11,14-19,22,28H,5,7,12-13,20-21H2,1-4H3,(H,26,27)/b10-8-,11-9-,16-14-,17-6-,18-15-,22-19+
InChIKeyMHNKUQRPSZWXPI-JBTVTZNQSA-N
XLogP6.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2,2-dimethyldocosa-4,7,10,13,16,19-hexaenoate
CID 90712434
(4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol
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(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)
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(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
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docosa-4,6,8,10,13,16,19-heptaenoic acid
CID 72820613
docosa-2,4,7,9,13,16,19-heptaenoic acid
CID 173077864
docosa-4,8,10,13,16,19-hexaenoic acid
CID 91377842
docosa-2,4,7,10,13,16,19-heptaen-1-ol
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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid?
The IUPAC name of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid (CID 156679770) is (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid.
What is the SMILES notation for (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid?
The canonical SMILES for (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid is CC/C=C\CC(C)(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CC(C)(C)C(=O)O.
What is the InChIKey of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid?
The InChIKey is MHNKUQRPSZWXPI-JBTVTZNQSA-N. The full InChI is InChI=1S/C25H38O3/c1-5-6-17-21-25(4,28)22-19-16-14-12-10-8-7-9-11-13-15-18-20-24(2,3)23(26)27/h6,8-11,14-19,22,28H,5,7,12-13,20-21H2,1-4H3,(H,26,27)/b10-8-,11-9-,16-14-,17-6-,18-15-,22-19+.
What are the key properties of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid?
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid has a molecular weight of 386.58 g/mol, XLogP of 6.55, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxy-2,2,17-trimethyldocosa-4,7,10,13,15,19-hexaenoic acid is sourced from PubChem (CID 156679770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).