(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid

C24H44O3Si — CID 100938118

IUPAC(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
SMILESCC(/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O3Si/c1-22(27-28(5,6)24(2,3)4)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23(25)26/h7-8,12,14,18,20,22H,9-11,13,15-17,19,21H2,1-6H3,(H,25,26)/b8-7-,14-12-,20-18-
InChIKeyOPIQVVSNTKLQCC-CVAOBTGHSA-N
MW408.70 g/mol
LogP7.66
Rot. Bonds15

About (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid

(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid (PubChem CID 100938118) has the molecular formula C24H44O3Si and a molecular weight of 408.70 g/mol. Its IUPAC name is (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid.

Molecular Properties

Compound Name(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
PubChem CID100938118
Molecular FormulaC24H44O3Si
Molecular Weight408.70 g/mol
Exact Mass408.31
IUPAC Name(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
SMILESCC(/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O3Si/c1-22(27-28(5,6)24(2,3)4)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23(25)26/h7-8,12,14,18,20,22H,9-11,13,15-17,19,21H2,1-6H3,(H,25,26)/b8-7-,14-12-,20-18-
InChIKeyOPIQVVSNTKLQCC-CVAOBTGHSA-N
XLogP7.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.70
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid with MolForge

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Related Compounds

17-methyloctadeca-6,9,12,15-tetraenoic acid
CID 173274279
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(9Z,12Z)-17,17-dihydroxyoctadeca-9,12-dienoic acid
CID 140675774
(9Z,12Z)-16-methylheptadeca-9,12-dienoic acid
CID 5312304
18-methylnonadeca-8,11,14-trienoic acid
CID 78383919
(7Z,10Z,13Z)-16-methylheptadeca-7,10,13-trienoic acid
CID 168749468
octacosa-20,23,26-trienoic acid
CID 169277364
henicosa-13,16,19-trienoic acid
CID 169277363
nonacosa-21,24,27-trienoic acid
CID 169276996
[tert-butyl(dimethyl)silyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
CID 91697184
tetradeca-5,8-dienedioic acid
CID 54091580
(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid
CID 127257850

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid?
The IUPAC name of (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid (CID 100938118) is (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid.
What is the SMILES notation for (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid?
The canonical SMILES for (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid is CC(/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid?
The InChIKey is OPIQVVSNTKLQCC-CVAOBTGHSA-N. The full InChI is InChI=1S/C24H44O3Si/c1-22(27-28(5,6)24(2,3)4)20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23(25)26/h7-8,12,14,18,20,22H,9-11,13,15-17,19,21H2,1-6H3,(H,25,26)/b8-7-,14-12-,20-18-.
What are the key properties of (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid?
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid has a molecular weight of 408.70 g/mol, XLogP of 7.66, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid is sourced from PubChem (CID 100938118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).