trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

C23H42O2Si — CID 91696385

IUPACtrimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C23H42O2Si/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/h12-13,15-16,18-19H,5-11,14,17,20-22H2,1-4H3/b13-12-,16-15-,19-18-
InChIKeyCIYBEUWQVCQGPW-LJURNQLPSA-N
MW378.67 g/mol
LogP7.73
Rot. Bonds16

About trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate

trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (PubChem CID 91696385) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate.

Molecular Properties

Compound Nametrimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
PubChem CID91696385
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Nametrimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C23H42O2Si/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/h12-13,15-16,18-19H,5-11,14,17,20-22H2,1-4H3/b13-12-,16-15-,19-18-
InChIKeyCIYBEUWQVCQGPW-LJURNQLPSA-N
XLogP7.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 57.73
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 (5Z,8Z,11Z)-icosa-5,8,11-trienoate?
The IUPAC name of trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (CID 91696385) is trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate.
What is the SMILES notation for trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate?
The canonical SMILES for trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate is CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate?
The InChIKey is CIYBEUWQVCQGPW-LJURNQLPSA-N. The full InChI is InChI=1S/C23H42O2Si/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/h12-13,15-16,18-19H,5-11,14,17,20-22H2,1-4H3/b13-12-,16-15-,19-18-.
What are the key properties of trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate?
trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate has a molecular weight of 378.67 g/mol, XLogP of 7.73, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate is sourced from PubChem (CID 91696385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).