trimethylsilyl octadeca-2,4-dienoate

C21H40O2Si — CID 170849898

IUPACtrimethylsilyl octadeca-2,4-dienoate
SMILESCCCCCCCCCCCCCC=CC=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h17-20H,5-16H2,1-4H3
InChIKeyQHJJIDDAQHVOBC-UHFFFAOYSA-N
MW352.63 g/mol
LogP7.18
Rot. Bonds15

About trimethylsilyl octadeca-2,4-dienoate

trimethylsilyl octadeca-2,4-dienoate (PubChem CID 170849898) has the molecular formula C21H40O2Si and a molecular weight of 352.63 g/mol. Its IUPAC name is trimethylsilyl octadeca-2,4-dienoate.

Molecular Properties

Compound Nametrimethylsilyl octadeca-2,4-dienoate
PubChem CID170849898
Molecular FormulaC21H40O2Si
Molecular Weight352.63 g/mol
Exact Mass352.28
IUPAC Nametrimethylsilyl octadeca-2,4-dienoate
SMILESCCCCCCCCCCCCCC=CC=CC(=O)O[Si](C)(C)C
InChIInChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h17-20H,5-16H2,1-4H3
InChIKeyQHJJIDDAQHVOBC-UHFFFAOYSA-N
XLogP7.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.63
LogP ≤ 57.18
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl octadeca-2,4-dienoate?
The IUPAC name of trimethylsilyl octadeca-2,4-dienoate (CID 170849898) is trimethylsilyl octadeca-2,4-dienoate.
What is the SMILES notation for trimethylsilyl octadeca-2,4-dienoate?
The canonical SMILES for trimethylsilyl octadeca-2,4-dienoate is CCCCCCCCCCCCCC=CC=CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl octadeca-2,4-dienoate?
The InChIKey is QHJJIDDAQHVOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h17-20H,5-16H2,1-4H3.
What are the key properties of trimethylsilyl octadeca-2,4-dienoate?
trimethylsilyl octadeca-2,4-dienoate has a molecular weight of 352.63 g/mol, XLogP of 7.18, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl octadeca-2,4-dienoate is sourced from PubChem (CID 170849898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).