methyl 8-trimethylsilyloxyhexadecanoate

C20H42O3Si — CID 14454572

IUPACmethyl 8-trimethylsilyloxyhexadecanoate
SMILESCCCCCCCCC(CCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C20H42O3Si/c1-6-7-8-9-10-13-16-19(23-24(3,4)5)17-14-11-12-15-18-20(21)22-2/h19H,6-18H2,1-5H3
InChIKeyJGWVBTXOQOSCKW-UHFFFAOYSA-N
MW358.64 g/mol
LogP6.47
Rot. Bonds16

About methyl 8-trimethylsilyloxyhexadecanoate

methyl 8-trimethylsilyloxyhexadecanoate (PubChem CID 14454572) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is methyl 8-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Namemethyl 8-trimethylsilyloxyhexadecanoate
PubChem CID14454572
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Namemethyl 8-trimethylsilyloxyhexadecanoate
SMILESCCCCCCCCC(CCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C20H42O3Si/c1-6-7-8-9-10-13-16-19(23-24(3,4)5)17-14-11-12-15-18-20(21)22-2/h19H,6-18H2,1-5H3
InChIKeyJGWVBTXOQOSCKW-UHFFFAOYSA-N
XLogP6.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 56.47
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 12-trimethylsilyloxyoctadecanoate
CID 604384
methyl 4-trimethylsilyloxyhexadecanoate
CID 71410391
methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462
methyl 9,10,12-tris(trimethylsilyloxy)octadecanoate
CID 71372132
methyl 13-(3-pentyloxiran-2-yl)-5-trimethylsilyloxytridecanoate
CID 91696955
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl (13R)-13-methoxynonadecanoate
CID 163048020
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
methyl 13-hexadecanoyloxyoctadecanoate
CID 175533930
methyl 16-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526817
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650

Frequently Asked Questions

What is the IUPAC name of methyl 8-trimethylsilyloxyhexadecanoate?
The IUPAC name of methyl 8-trimethylsilyloxyhexadecanoate (CID 14454572) is methyl 8-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for methyl 8-trimethylsilyloxyhexadecanoate?
The canonical SMILES for methyl 8-trimethylsilyloxyhexadecanoate is CCCCCCCCC(CCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 8-trimethylsilyloxyhexadecanoate?
The InChIKey is JGWVBTXOQOSCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-6-7-8-9-10-13-16-19(23-24(3,4)5)17-14-11-12-15-18-20(21)22-2/h19H,6-18H2,1-5H3.
What are the key properties of methyl 8-trimethylsilyloxyhexadecanoate?
methyl 8-trimethylsilyloxyhexadecanoate has a molecular weight of 358.64 g/mol, XLogP of 6.47, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 14454572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).