trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate

C19H42O3Si2 — CID 91719422

IUPACtrimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate
SMILESCCC(C)CCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-9-17(2)14-12-10-11-13-15-18(21-23(3,4)5)16-19(20)22-24(6,7)8/h17-18H,9-16H2,1-8H3
InChIKeyQWTDLLGSWKAMHN-UHFFFAOYSA-N
MW374.71 g/mol
LogP6.36
Rot. Bonds13

About trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate

trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate (PubChem CID 91719422) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate.

Molecular Properties

Compound Nametrimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate
PubChem CID91719422
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Nametrimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate
SMILESCCC(C)CCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-9-17(2)14-12-10-11-13-15-18(21-23(3,4)5)16-19(20)22-24(6,7)8/h17-18H,9-16H2,1-8H3
InChIKeyQWTDLLGSWKAMHN-UHFFFAOYSA-N
XLogP6.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate with MolForge

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

Launch Full Analysis

Related Compounds

Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
Trimethylsilyl 3,7,11,15-tetramethylhexadecanoate
CID 594295
2-Propyl-3-hydroxypentanoic acid, diTMS
CID 523703
Trimethylsilyl 10-methyldodecanoate
CID 526083
Trimethylsilyl 12-methyltetradecanoate
CID 526094
Bis(trimethylsilyl) 3-[(trimethylsilyl)oxy]dodecanedioate
CID 528647
Bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
CID 528648
3-Trimethylsiloxyoctanoic acid, trimethylsilyl ester
CID 553092
Decanedioic acid, 3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 553954
16-Methyloctadecanoic acid trimethylsilylester
CID 91747648
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate?
The IUPAC name of trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate (CID 91719422) is trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate.
What is the SMILES notation for trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate?
The canonical SMILES for trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate is CCC(C)CCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate?
The InChIKey is QWTDLLGSWKAMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-9-17(2)14-12-10-11-13-15-18(21-23(3,4)5)16-19(20)22-24(6,7)8/h17-18H,9-16H2,1-8H3.
What are the key properties of trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate?
trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate has a molecular weight of 374.71 g/mol, XLogP of 6.36, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 10-methyl-3-trimethylsilyloxydodecanoate is sourced from PubChem (CID 91719422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).