trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate

C25H48O2Si — CID 91696446

IUPACtrimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C25H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h9-10,12-13H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-
InChIKeyGQGVFIYEJIDMDB-UTJQPWESSA-N
MW408.74 g/mol
LogP8.74
Rot. Bonds19

About trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate

trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate (PubChem CID 91696446) has the molecular formula C25H48O2Si and a molecular weight of 408.74 g/mol. Its IUPAC name is trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate.

Molecular Properties

Compound Nametrimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
PubChem CID91696446
Molecular FormulaC25H48O2Si
Molecular Weight408.74 g/mol
Exact Mass408.34
IUPAC Nametrimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C25H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h9-10,12-13H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-
InChIKeyGQGVFIYEJIDMDB-UTJQPWESSA-N
XLogP8.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.74
LogP ≤ 58.74
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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Related Compounds

trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 5366427
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
[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
methyl icosa-8,11,14-trienoate
CID 519411
methyl octadeca-6,9-dienoate
CID 549027
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl (13Z,16E)-docosa-13,16-dienoate
CID 53249651
[(6E,9E,12E)-octadeca-6,9,12-trienoyl] (6E,9E,12E)-octadeca-6,9,12-trienoate
CID 87579236
[(E)-pentadec-1-enyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 88826725
methyl (7Z,11Z,14Z)-icosa-7,11,14-trienoate
CID 91694374
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate?
The IUPAC name of trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate (CID 91696446) is trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate.
What is the SMILES notation for trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate?
The canonical SMILES for trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate is CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate?
The InChIKey is GQGVFIYEJIDMDB-UTJQPWESSA-N. The full InChI is InChI=1S/C25H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h9-10,12-13H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-.
What are the key properties of trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate?
trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate has a molecular weight of 408.74 g/mol, XLogP of 8.74, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate is sourced from PubChem (CID 91696446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).