trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

C21H38O2Si — CID 91754000

IUPACtrimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13,15-16H,5-8,11,14,17-20H2,1-4H3/b10-9-,13-12-,16-15-
InChIKeyYTIJXHGXJIJZKZ-YOILPLPUSA-N
MW350.62 g/mol
LogP6.95
Rot. Bonds14

About trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (PubChem CID 91754000) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate.

Molecular Properties

Compound Nametrimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
PubChem CID91754000
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Nametrimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13,15-16H,5-8,11,14,17-20H2,1-4H3/b10-9-,13-12-,16-15-
InChIKeyYTIJXHGXJIJZKZ-YOILPLPUSA-N
XLogP6.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.95
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate?
The IUPAC name of trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (CID 91754000) is trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate.
What is the SMILES notation for trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate?
The canonical SMILES for trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate is CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate?
The InChIKey is YTIJXHGXJIJZKZ-YOILPLPUSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13,15-16H,5-8,11,14,17-20H2,1-4H3/b10-9-,13-12-,16-15-.
What are the key properties of trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate?
trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate has a molecular weight of 350.62 g/mol, XLogP of 6.95, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate is sourced from PubChem (CID 91754000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).