methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate

C26H44O3Si — CID 91696969

IUPACmethyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate
SMILESCCCCC/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C26H44O3Si/c1-6-7-8-9-16-19-22-25(29-30(3,4)5)23-20-17-14-12-10-11-13-15-18-21-24-26(27)28-2/h10-11,14-20,23,25H,6-9,12-13,21-22,24H2,1-5H3/b11-10-,17-14-,18-15-,19-16-,23-20+
InChIKeyKXTJXBWRWIPRPR-MAYGBEICSA-N
MW432.72 g/mol
LogP7.69
Rot. Bonds17

About methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate

methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate (PubChem CID 91696969) has the molecular formula C26H44O3Si and a molecular weight of 432.72 g/mol. Its IUPAC name is methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate.

Molecular Properties

Compound Namemethyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate
PubChem CID91696969
Molecular FormulaC26H44O3Si
Molecular Weight432.72 g/mol
Exact Mass432.31
IUPAC Namemethyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate
SMILESCCCCC/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C26H44O3Si/c1-6-7-8-9-16-19-22-25(29-30(3,4)5)23-20-17-14-12-10-11-13-15-18-21-24-26(27)28-2/h10-11,14-20,23,25H,6-9,12-13,21-22,24H2,1-5H3/b11-10-,17-14-,18-15-,19-16-,23-20+
InChIKeyKXTJXBWRWIPRPR-MAYGBEICSA-N
XLogP7.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Analyze methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate with MolForge

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Related Compounds

13-Trimethylsiloxy 9,11-octadecadienoic methyl ester
CID 85931395
10,12-Octadecadienoic acid, 9-hydroxy, TMS, methyl ester
CID 91749548
methyl (5E,7Z)-7-tri(propan-2-yl)silyloxynona-5,7-dienoate
CID 11688696
methyl (11R,12E,14Z)-11-[tert-butyl(dimethyl)silyl]oxyicosa-12,14-dien-5,8-diynoate
CID 134976599
methyl (5E,8Z,10E,12S,14Z)-12,20-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-5,8,10,14-tetraenoate
CID 134980793
ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
CID 134980795
methyl (5Z,8Z,11Z,14Z,16E,18R)-18-[tert-butyl(dimethyl)silyl]oxyicosa-5,8,11,14,16-pentaenoate
CID 138982538
methyl (6Z,9S,10E,12Z)-9-trimethylsilyloxyoctadeca-6,10,12-trienoate
CID 10249233
Z,E,E-13-Hydroxyoctadeca-6,9,11-trienoic acid, methyl ester, trimethylsilyl ether
CID 10385150
Methyl 9-trimethylsilyloxyoctadeca-10,12-dienoate
CID 71362062
Z,Z,E,E-14-Hydroxynonadeca-4,7,10,12-tetra-enoic acid,methyl ester, trimethylsilyl ether
CID 91696822
Z,E,E-14-Hydroxynonadeca-7,10,12-trienoic acid, methyl ester, trimethylsilyl ether
CID 91736006

Frequently Asked Questions

What is the IUPAC name of methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate?
The IUPAC name of methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate (CID 91696969) is methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate.
What is the SMILES notation for methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate?
The canonical SMILES for methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate is CCCCC/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate?
The InChIKey is KXTJXBWRWIPRPR-MAYGBEICSA-N. The full InChI is InChI=1S/C26H44O3Si/c1-6-7-8-9-16-19-22-25(29-30(3,4)5)23-20-17-14-12-10-11-13-15-18-21-24-26(27)28-2/h10-11,14-20,23,25H,6-9,12-13,21-22,24H2,1-5H3/b11-10-,17-14-,18-15-,19-16-,23-20+.
What are the key properties of methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate?
methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate has a molecular weight of 432.72 g/mol, XLogP of 7.69, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z,7Z,10Z,12E,16Z)-14-trimethylsilyloxydocosa-4,7,10,12,16-pentaenoate is sourced from PubChem (CID 91696969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).