trimethylsilyl (Z)-docos-13-enoate

C25H50O2Si — CID 91696405

IUPACtrimethylsilyl (Z)-docos-13-enoate
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C25H50O2Si/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/h12-13H,5-11,14-24H2,1-4H3/b13-12-
InChIKeyAYZOMQWLRBJULM-SEYXRHQNSA-N
MW410.76 g/mol
LogP8.96
Rot. Bonds20

About trimethylsilyl (Z)-docos-13-enoate

trimethylsilyl (Z)-docos-13-enoate (PubChem CID 91696405) has the molecular formula C25H50O2Si and a molecular weight of 410.76 g/mol. Its IUPAC name is trimethylsilyl (Z)-docos-13-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-docos-13-enoate
PubChem CID91696405
Molecular FormulaC25H50O2Si
Molecular Weight410.76 g/mol
Exact Mass410.36
IUPAC Nametrimethylsilyl (Z)-docos-13-enoate
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C25H50O2Si/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/h12-13H,5-11,14-24H2,1-4H3/b13-12-
InChIKeyAYZOMQWLRBJULM-SEYXRHQNSA-N
XLogP8.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 58.96
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 (Z)-docos-13-enoate?
The IUPAC name of trimethylsilyl (Z)-docos-13-enoate (CID 91696405) is trimethylsilyl (Z)-docos-13-enoate.
What is the SMILES notation for trimethylsilyl (Z)-docos-13-enoate?
The canonical SMILES for trimethylsilyl (Z)-docos-13-enoate is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-docos-13-enoate?
The InChIKey is AYZOMQWLRBJULM-SEYXRHQNSA-N. The full InChI is InChI=1S/C25H50O2Si/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/h12-13H,5-11,14-24H2,1-4H3/b13-12-.
What are the key properties of trimethylsilyl (Z)-docos-13-enoate?
trimethylsilyl (Z)-docos-13-enoate has a molecular weight of 410.76 g/mol, XLogP of 8.96, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z)-docos-13-enoate is sourced from PubChem (CID 91696405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).