methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate

C23H48O3Si — CID 526794

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate
SMILESCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C23H48O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)25-5)26-27(6,7)23(2,3)4/h21H,8-20H2,1-7H3
InChIKeyJXIFMMAYTILMOV-UHFFFAOYSA-N
MW400.72 g/mol
LogP7.64
Rot. Bonds16

About methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate

methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate (PubChem CID 526794) has the molecular formula C23H48O3Si and a molecular weight of 400.72 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate
PubChem CID526794
Molecular FormulaC23H48O3Si
Molecular Weight400.72 g/mol
Exact Mass400.34
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate
SMILESCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C23H48O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)25-5)26-27(6,7)23(2,3)4/h21H,8-20H2,1-7H3
InChIKeyJXIFMMAYTILMOV-UHFFFAOYSA-N
XLogP7.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 57.64
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
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Octadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524479
2,3-Bis[(trimethylsilyl)oxy]propyl icosanoate
CID 537899
2,3-Bis(trimethylsilyloxy)propyl hexadecanoate
CID 552033
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 552917
2,3-Bis[(trimethylsilyl)oxy]propyl stearate
CID 553936
1,2-Dipalmitoyl-3-trimethylsilyl-glycerol
CID 628580
2,3-Bis[(trimethylsilyl)oxy]propyl dodecanoate
CID 628819
1,3-Dipalmitin trimethylsilyl ether
CID 632872
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462
Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384

Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate (CID 526794) is methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate is CCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate?
The InChIKey is JXIFMMAYTILMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)25-5)26-27(6,7)23(2,3)4/h21H,8-20H2,1-7H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate has a molecular weight of 400.72 g/mol, XLogP of 7.64, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxyhexadecanoate is sourced from PubChem (CID 526794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).