trimethylsilyl 4-methyldodecanoate

C16H34O2Si — CID 526086

IUPACtrimethylsilyl 4-methyldodecanoate
SMILESCCCCCCCCC(C)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-6-7-8-9-10-11-12-15(2)13-14-16(17)18-19(3,4)5/h15H,6-14H2,1-5H3
InChIKeyDPYNTVKGQYPNFD-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.53
Rot. Bonds11

About trimethylsilyl 4-methyldodecanoate

trimethylsilyl 4-methyldodecanoate (PubChem CID 526086) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is trimethylsilyl 4-methyldodecanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-methyldodecanoate
PubChem CID526086
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametrimethylsilyl 4-methyldodecanoate
SMILESCCCCCCCCC(C)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-6-7-8-9-10-11-12-15(2)13-14-16(17)18-19(3,4)5/h15H,6-14H2,1-5H3
InChIKeyDPYNTVKGQYPNFD-UHFFFAOYSA-N
XLogP5.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.53
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-methyldodecanoate?
The IUPAC name of trimethylsilyl 4-methyldodecanoate (CID 526086) is trimethylsilyl 4-methyldodecanoate.
What is the SMILES notation for trimethylsilyl 4-methyldodecanoate?
The canonical SMILES for trimethylsilyl 4-methyldodecanoate is CCCCCCCCC(C)CCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4-methyldodecanoate?
The InChIKey is DPYNTVKGQYPNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-6-7-8-9-10-11-12-15(2)13-14-16(17)18-19(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of trimethylsilyl 4-methyldodecanoate?
trimethylsilyl 4-methyldodecanoate has a molecular weight of 286.53 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-methyldodecanoate is sourced from PubChem (CID 526086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).