methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate

C24H44O3Si — CID 91696943

IUPACmethyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate
SMILESCCCCC/C=C\CCCC/C=C\C=C\C(CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C24H44O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(27-28(3,4)5)21-19-22-24(25)26-2/h10-11,16-18,20,23H,6-9,12-15,19,21-22H2,1-5H3/b11-10-,17-16-,20-18+
InChIKeyPABDCKKLPHNAMS-XYAYNOJRSA-N
MW408.70 g/mol
LogP7.36
Rot. Bonds17

About methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate

methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate (PubChem CID 91696943) has the molecular formula C24H44O3Si and a molecular weight of 408.70 g/mol. Its IUPAC name is methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate.

Molecular Properties

Compound Namemethyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate
PubChem CID91696943
Molecular FormulaC24H44O3Si
Molecular Weight408.70 g/mol
Exact Mass408.31
IUPAC Namemethyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate
SMILESCCCCC/C=C\CCCC/C=C\C=C\C(CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C24H44O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(27-28(3,4)5)21-19-22-24(25)26-2/h10-11,16-18,20,23H,6-9,12-15,19,21-22H2,1-5H3/b11-10-,17-16-,20-18+
InChIKeyPABDCKKLPHNAMS-XYAYNOJRSA-N
XLogP7.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.70
LogP ≤ 57.36
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'}

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Related Compounds

Methyl (6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoate
CID 13075004
Ethyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosatetraenoate
CID 134812176
5-Hete methyl ester
CID 13075003
Methyl 5-hydroxyicosa-6,8,11,14-tetraenoate
CID 54289442
13-Trimethylsiloxy 9,11-octadecadienoic methyl ester
CID 85931395
Ethyl-(5S,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosatetraenoate
CID 134812177
10,12-Octadecadienoic acid, 9-hydroxy, TMS, methyl ester
CID 91749548
methyl (6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoate
CID 11359507
methyl (5S,6Z,8E,10E,12R,14Z)-5,12-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,10,14-tetraenoate
CID 13798086
methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynoate
CID 13963468
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynoate
CID 13963469
methyl (3S,5R,6E,8E)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxytetradeca-6,8-dienoate
CID 25199404

Frequently Asked Questions

What is the IUPAC name of methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate?
The IUPAC name of methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate (CID 91696943) is methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate.
What is the SMILES notation for methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate?
The canonical SMILES for methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate is CCCCC/C=C\CCCC/C=C\C=C\C(CCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate?
The InChIKey is PABDCKKLPHNAMS-XYAYNOJRSA-N. The full InChI is InChI=1S/C24H44O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(27-28(3,4)5)21-19-22-24(25)26-2/h10-11,16-18,20,23H,6-9,12-15,19,21-22H2,1-5H3/b11-10-,17-16-,20-18+.
What are the key properties of methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate?
methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate has a molecular weight of 408.70 g/mol, XLogP of 7.36, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6E,8Z,14Z)-5-trimethylsilyloxyicosa-6,8,14-trienoate is sourced from PubChem (CID 91696943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).