trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C25H40O2Si — CID 91696460

IUPACtrimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C25H40O2Si/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/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-24H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKeyWKGLYXNPWPPKPA-WSDBEMKQSA-N
MW400.68 g/mol
LogP7.84
Rot. Bonds15

About trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (PubChem CID 91696460) has the molecular formula C25H40O2Si and a molecular weight of 400.68 g/mol. Its IUPAC name is trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate.

Molecular Properties

Compound Nametrimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
PubChem CID91696460
Molecular FormulaC25H40O2Si
Molecular Weight400.68 g/mol
Exact Mass400.28
IUPAC Nametrimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C25H40O2Si/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/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-24H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-
InChIKeyWKGLYXNPWPPKPA-WSDBEMKQSA-N
XLogP7.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.68
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoate
CID 40486925
Arachidonic acid, trimethylsilyl ester
CID 5366427
Trimethylsilyl 4-pentenoate
CID 554477
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
Arachidonic acid, TBDMS
CID 6428868
cis-5,8,11-Eicosatrienoic acid, trimethylsilyl ester
CID 91696385
cis-4,7,10,13,16,19-Docosahexaenoic acid, tert-butyldimethylsilyl ester
CID 91697182
cis-5,8,11,14,17-Eicosapentaenoic acid, tert-butyldimethylsilyl ester
CID 91697183
cis-5,8,11,14,17-Eicosapentaenoic acid, trimethylsilyl ester
CID 91697558
cis-5-Dodecenoic acid, trimethylsilyl ester
CID 91709835
cis-5-Dodecenoic acid, tert-butyldimethylsilyl ester
CID 91738891
trans-4-Octenedioic acid, TMS
CID 91753103

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?
The IUPAC name of trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (CID 91696460) is trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate.
What is the SMILES notation for trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?
The canonical SMILES for trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?
The InChIKey is WKGLYXNPWPPKPA-WSDBEMKQSA-N. The full InChI is InChI=1S/C25H40O2Si/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/h6-7,9-10,12-13,15-16,18-19,21-22H,5,8,11,14,17,20,23-24H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-.
What are the key properties of trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?
trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate has a molecular weight of 400.68 g/mol, XLogP of 7.84, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate is sourced from PubChem (CID 91696460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).