trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

C23H40O2Si — CID 5366427

IUPACtrimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C23H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-22H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
InChIKeyWKCGHSAPDCPZBQ-SNPVRQPZSA-N
MW376.66 g/mol
LogP7.51
Rot. Bonds15

About trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (PubChem CID 5366427) has the molecular formula C23H40O2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Nametrimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
PubChem CID5366427
Molecular FormulaC23H40O2Si
Molecular Weight376.66 g/mol
Exact Mass376.28
IUPAC Nametrimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C23H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-22H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
InChIKeyWKCGHSAPDCPZBQ-SNPVRQPZSA-N
XLogP7.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.66
LogP ≤ 57.51
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'}

Analyze trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate with MolForge

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Related Compounds

trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
CID 91696446
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
icosa-5,8,11,14-tetraenoyl icosa-5,8,11,14-tetraeneperoxoate
CID 54235678
[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
CID 14636330
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
[(6E,9E,12E)-octadeca-6,9,12-trienoyl] (6E,9E,12E)-octadeca-6,9,12-trienoate
CID 87579236
[tert-butyl(dimethyl)silyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
CID 91697184
octanoyl (9Z,12Z)-octadeca-9,12-dieneperoxoate
CID 141106196
octyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 6437641
[(9E,12E)-octadeca-9,12-dienyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 91750339
henicosyl icosa-5,8,11,14-tetraenoate
CID 174050726
[(2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
CID 131801944

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The IUPAC name of trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (CID 5366427) is trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate.
What is the SMILES notation for trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The canonical SMILES for trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
The InChIKey is WKCGHSAPDCPZBQ-SNPVRQPZSA-N. The full InChI is InChI=1S/C23H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h9-10,12-13,15-16,18-19H,5-8,11,14,17,20-22H2,1-4H3/b10-9-,13-12-,16-15-,19-18-.
What are the key properties of trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate?
trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate has a molecular weight of 376.66 g/mol, XLogP of 7.51, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 5366427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).