methyl 15-methyl-2-trimethylsilyloxyhexadecanoate

C21H44O3Si — CID 530315

IUPACmethyl 15-methyl-2-trimethylsilyloxyhexadecanoate
SMILESCOC(=O)C(CCCCCCCCCCCCC(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H44O3Si/c1-19(2)17-15-13-11-9-7-8-10-12-14-16-18-20(21(22)23-3)24-25(4,5)6/h19-20H,7-18H2,1-6H3
InChIKeyKWXZFWLESSJGHR-UHFFFAOYSA-N
MW372.67 g/mol
LogP6.72
Rot. Bonds16

About methyl 15-methyl-2-trimethylsilyloxyhexadecanoate

methyl 15-methyl-2-trimethylsilyloxyhexadecanoate (PubChem CID 530315) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is methyl 15-methyl-2-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Namemethyl 15-methyl-2-trimethylsilyloxyhexadecanoate
PubChem CID530315
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Namemethyl 15-methyl-2-trimethylsilyloxyhexadecanoate
SMILESCOC(=O)C(CCCCCCCCCCCCC(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H44O3Si/c1-19(2)17-15-13-11-9-7-8-10-12-14-16-18-20(21(22)23-3)24-25(4,5)6/h19-20H,7-18H2,1-6H3
InChIKeyKWXZFWLESSJGHR-UHFFFAOYSA-N
XLogP6.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.72
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 15-methyl-2-trimethylsilyloxyhexadecanoate?
The IUPAC name of methyl 15-methyl-2-trimethylsilyloxyhexadecanoate (CID 530315) is methyl 15-methyl-2-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for methyl 15-methyl-2-trimethylsilyloxyhexadecanoate?
The canonical SMILES for methyl 15-methyl-2-trimethylsilyloxyhexadecanoate is COC(=O)C(CCCCCCCCCCCCC(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 15-methyl-2-trimethylsilyloxyhexadecanoate?
The InChIKey is KWXZFWLESSJGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si/c1-19(2)17-15-13-11-9-7-8-10-12-14-16-18-20(21(22)23-3)24-25(4,5)6/h19-20H,7-18H2,1-6H3.
What are the key properties of methyl 15-methyl-2-trimethylsilyloxyhexadecanoate?
methyl 15-methyl-2-trimethylsilyloxyhexadecanoate has a molecular weight of 372.67 g/mol, XLogP of 6.72, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 15-methyl-2-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 530315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).