methyl 12-trimethylsilyloxyoctadecanoate

C22H46O3Si — CID 604384

IUPACmethyl 12-trimethylsilyloxyoctadecanoate
SMILESCCCCCCC(CCCCCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H46O3Si/c1-6-7-8-15-18-21(25-26(3,4)5)19-16-13-11-9-10-12-14-17-20-22(23)24-2/h21H,6-20H2,1-5H3
InChIKeyWBWFOZDCBKQZRY-UHFFFAOYSA-N
MW386.69 g/mol
LogP7.25
Rot. Bonds18

About methyl 12-trimethylsilyloxyoctadecanoate

methyl 12-trimethylsilyloxyoctadecanoate (PubChem CID 604384) has the molecular formula C22H46O3Si and a molecular weight of 386.69 g/mol. Its IUPAC name is methyl 12-trimethylsilyloxyoctadecanoate.

Molecular Properties

Compound Namemethyl 12-trimethylsilyloxyoctadecanoate
PubChem CID604384
Molecular FormulaC22H46O3Si
Molecular Weight386.69 g/mol
Exact Mass386.32
IUPAC Namemethyl 12-trimethylsilyloxyoctadecanoate
SMILESCCCCCCC(CCCCCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H46O3Si/c1-6-7-8-15-18-21(25-26(3,4)5)19-16-13-11-9-10-12-14-17-20-22(23)24-2/h21H,6-20H2,1-5H3
InChIKeyWBWFOZDCBKQZRY-UHFFFAOYSA-N
XLogP7.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 57.25
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 8-trimethylsilyloxyhexadecanoate
CID 14454572
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 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
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 12-trimethylsilyloxyoctadecanoate?
The IUPAC name of methyl 12-trimethylsilyloxyoctadecanoate (CID 604384) is methyl 12-trimethylsilyloxyoctadecanoate.
What is the SMILES notation for methyl 12-trimethylsilyloxyoctadecanoate?
The canonical SMILES for methyl 12-trimethylsilyloxyoctadecanoate is CCCCCCC(CCCCCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 12-trimethylsilyloxyoctadecanoate?
The InChIKey is WBWFOZDCBKQZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O3Si/c1-6-7-8-15-18-21(25-26(3,4)5)19-16-13-11-9-10-12-14-17-20-22(23)24-2/h21H,6-20H2,1-5H3.
What are the key properties of methyl 12-trimethylsilyloxyoctadecanoate?
methyl 12-trimethylsilyloxyoctadecanoate has a molecular weight of 386.69 g/mol, XLogP of 7.25, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 12-trimethylsilyloxyoctadecanoate is sourced from PubChem (CID 604384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).