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

C26H54O3Si — CID 526803

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate
SMILESCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C26H54O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25(27)28-5)29-30(6,7)26(2,3)4/h24H,8-23H2,1-7H3
InChIKeyZARVPFAZAUHKLQ-UHFFFAOYSA-N
MW442.80 g/mol
LogP8.81
Rot. Bonds19

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

methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate (PubChem CID 526803) has the molecular formula C26H54O3Si and a molecular weight of 442.80 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate
PubChem CID526803
Molecular FormulaC26H54O3Si
Molecular Weight442.80 g/mol
Exact Mass442.38
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate
SMILESCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C26H54O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25(27)28-5)29-30(6,7)26(2,3)4/h24H,8-23H2,1-7H3
InChIKeyZARVPFAZAUHKLQ-UHFFFAOYSA-N
XLogP8.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.80
LogP ≤ 58.81
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]oxynonadecanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate (CID 526803) is methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate is CCCCCCCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
The InChIKey is ZARVPFAZAUHKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25(27)28-5)29-30(6,7)26(2,3)4/h24H,8-23H2,1-7H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxynonadecanoate has a molecular weight of 442.80 g/mol, XLogP of 8.81, 19 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]oxynonadecanoate is sourced from PubChem (CID 526803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).