methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate

C26H54O3Si — CID 526837

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

About methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate

methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate (PubChem CID 526837) has the molecular formula C26H54O3Si and a molecular weight of 442.80 g/mol. Its IUPAC name is methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate.

Molecular Properties

Compound Namemethyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
PubChem CID526837
Molecular FormulaC26H54O3Si
Molecular Weight442.80 g/mol
Exact Mass442.38
IUPAC Namemethyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
SMILESCCCCCCCC(CCCCCCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O3Si/c1-8-9-10-15-18-21-24(29-30(6,7)26(2,3)4)22-19-16-13-11-12-14-17-20-23-25(27)28-5/h24H,8-23H2,1-7H3
InChIKeyNMEJTHOZVULTCP-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 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 16-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526817
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
methyl 4-trimethylsilyloxyhexadecanoate
CID 71410391
methyl (13R)-13-methoxynonadecanoate
CID 163048020
methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462
methyl (11Z,14Z)-3-[tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoate
CID 86678084
methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate
CID 11843719
methyl 13-hexadecanoyloxyoctadecanoate
CID 175533930
methyl 9,10,12-tris(trimethylsilyloxy)octadecanoate
CID 71372132

Frequently Asked Questions

What is the IUPAC name of methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
The IUPAC name of methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate (CID 526837) is methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate.
What is the SMILES notation for methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
The canonical SMILES for methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate is CCCCCCCC(CCCCCCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
The InChIKey is NMEJTHOZVULTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si/c1-8-9-10-15-18-21-24(29-30(6,7)26(2,3)4)22-19-16-13-11-12-14-17-20-23-25(27)28-5/h24H,8-23H2,1-7H3.
What are the key properties of methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate?
methyl 12-[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 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate is sourced from PubChem (CID 526837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).