trimethylsilyl 6-methyldodecanoate

C16H34O2Si — CID 526087

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

About trimethylsilyl 6-methyldodecanoate

trimethylsilyl 6-methyldodecanoate (PubChem CID 526087) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is trimethylsilyl 6-methyldodecanoate.

Molecular Properties

Compound Nametrimethylsilyl 6-methyldodecanoate
PubChem CID526087
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametrimethylsilyl 6-methyldodecanoate
SMILESCCCCCCC(C)CCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-6-7-8-9-12-15(2)13-10-11-14-16(17)18-19(3,4)5/h15H,6-14H2,1-5H3
InChIKeyDHOQXLVOWVWULU-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'}

Analyze trimethylsilyl 6-methyldodecanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-methyldodecanoate?
The IUPAC name of trimethylsilyl 6-methyldodecanoate (CID 526087) is trimethylsilyl 6-methyldodecanoate.
What is the SMILES notation for trimethylsilyl 6-methyldodecanoate?
The canonical SMILES for trimethylsilyl 6-methyldodecanoate is CCCCCCC(C)CCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 6-methyldodecanoate?
The InChIKey is DHOQXLVOWVWULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-6-7-8-9-12-15(2)13-10-11-14-16(17)18-19(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of trimethylsilyl 6-methyldodecanoate?
trimethylsilyl 6-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 6-methyldodecanoate is sourced from PubChem (CID 526087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).