methyl 13-methyl-2-trimethylsilyloxytetradecanoate

C19H40O3Si — CID 91748930

IUPACmethyl 13-methyl-2-trimethylsilyloxytetradecanoate
SMILESCOC(=O)C(CCCCCCCCCCC(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O3Si/c1-17(2)15-13-11-9-7-8-10-12-14-16-18(19(20)21-3)22-23(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyRLBOWVJOLXLXSQ-UHFFFAOYSA-N
MW344.61 g/mol
LogP5.94
Rot. Bonds14

About methyl 13-methyl-2-trimethylsilyloxytetradecanoate

methyl 13-methyl-2-trimethylsilyloxytetradecanoate (PubChem CID 91748930) has the molecular formula C19H40O3Si and a molecular weight of 344.61 g/mol. Its IUPAC name is methyl 13-methyl-2-trimethylsilyloxytetradecanoate.

Molecular Properties

Compound Namemethyl 13-methyl-2-trimethylsilyloxytetradecanoate
PubChem CID91748930
Molecular FormulaC19H40O3Si
Molecular Weight344.61 g/mol
Exact Mass344.27
IUPAC Namemethyl 13-methyl-2-trimethylsilyloxytetradecanoate
SMILESCOC(=O)C(CCCCCCCCCCC(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H40O3Si/c1-17(2)15-13-11-9-7-8-10-12-14-16-18(19(20)21-3)22-23(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyRLBOWVJOLXLXSQ-UHFFFAOYSA-N
XLogP5.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.94
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'}

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Related Compounds

Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
Octadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524479
1-[2-[[Dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate
CID 121235918
alpha-Hydroxyarachidic acid, TMSi-Me
CID 524463
Methyl 2-[(trimethylsilyl)oxy]docosanoate
CID 524465
alpha-Hydroxycerotic acid, TMSi-Me
CID 524467
Tetracosanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524471
Methyl 2-[(trimethylsilyl)oxy]pentacosanoate
CID 524475
Methyl 2-[(trimethylsilyl)oxy]tricosanoate
CID 524481
Palmitic acid, 2-tert-butyldimethylsilyloxy-, methyl ester
CID 526794
Methylmyristate, 2-trimethylsilyloxy
CID 553675
2-Hydroxyoctanoic acid, 2TBDMS derivative
CID 91719363

Frequently Asked Questions

What is the IUPAC name of methyl 13-methyl-2-trimethylsilyloxytetradecanoate?
The IUPAC name of methyl 13-methyl-2-trimethylsilyloxytetradecanoate (CID 91748930) is methyl 13-methyl-2-trimethylsilyloxytetradecanoate.
What is the SMILES notation for methyl 13-methyl-2-trimethylsilyloxytetradecanoate?
The canonical SMILES for methyl 13-methyl-2-trimethylsilyloxytetradecanoate is COC(=O)C(CCCCCCCCCCC(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 13-methyl-2-trimethylsilyloxytetradecanoate?
The InChIKey is RLBOWVJOLXLXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si/c1-17(2)15-13-11-9-7-8-10-12-14-16-18(19(20)21-3)22-23(4,5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of methyl 13-methyl-2-trimethylsilyloxytetradecanoate?
methyl 13-methyl-2-trimethylsilyloxytetradecanoate has a molecular weight of 344.61 g/mol, XLogP of 5.94, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 13-methyl-2-trimethylsilyloxytetradecanoate is sourced from PubChem (CID 91748930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).