methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate

C26H54O3Si — CID 526800

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

About methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate (PubChem CID 526800) has the molecular formula C26H54O3Si and a molecular weight of 442.80 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate
PubChem CID526800
Molecular FormulaC26H54O3Si
Molecular Weight442.80 g/mol
Exact Mass442.38
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate
SMILESCCCCCCCCCCCCCCCCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25(27)28-5)29-30(6,7)26(2,3)4/h24H,8-23H2,1-7H3
InChIKeyCZAJHZNGFQBTER-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

Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
Methyl 3-methoxytetradecanoate
CID 554272
Methyl 3-methoxyoctadecanoate
CID 554628
Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572
Methyl 17-trimethylsiloxy eicosanoate
CID 129726574
(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate (CID 526800) is methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate is CCCCCCCCCCCCCCCCC(CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
The InChIKey is CZAJHZNGFQBTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25(27)28-5)29-30(6,7)26(2,3)4/h24H,8-23H2,1-7H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
methyl 3-[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 3-[tert-butyl(dimethyl)silyl]oxynonadecanoate is sourced from PubChem (CID 526800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).