methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate

C25H52O3Si — CID 526774

IUPACmethyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate
SMILESCCCCCCCCCC(CCCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O3Si/c1-8-9-10-11-12-14-17-20-23(28-29(6,7)25(2,3)4)21-18-15-13-16-19-22-24(26)27-5/h23H,8-22H2,1-7H3
InChIKeyONGADZBOOWEJER-UHFFFAOYSA-N
MW428.77 g/mol
LogP8.42
Rot. Bonds18

About methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate

methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate (PubChem CID 526774) has the molecular formula C25H52O3Si and a molecular weight of 428.77 g/mol. Its IUPAC name is methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate.

Molecular Properties

Compound Namemethyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate
PubChem CID526774
Molecular FormulaC25H52O3Si
Molecular Weight428.77 g/mol
Exact Mass428.37
IUPAC Namemethyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate
SMILESCCCCCCCCCC(CCCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O3Si/c1-8-9-10-11-12-14-17-20-23(28-29(6,7)25(2,3)4)21-18-15-13-16-19-22-24(26)27-5/h23H,8-22H2,1-7H3
InChIKeyONGADZBOOWEJER-UHFFFAOYSA-N
XLogP8.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.77
LogP ≤ 58.42
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'}

Analyze methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trimethylsilyl stearate
CID 87777
Npc119807
CID 519592
Hexadecanic acid, trimethylsilyl ester
CID 521638
Trimethylsilyl tridecanoate
CID 519342
n-Pentanoic acid, trimethylsilyl ester
CID 523679
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
Trimethylsilyl tetracosanoate
CID 522540
Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
Trimethylsilyl heptadecanoate
CID 521635
Arachidic acid, trimethylsilyl ester
CID 521648
Trimethylsilyl nonadecanoate
CID 522538
Trimethylsilyl docosanoate
CID 522539

Frequently Asked Questions

What is the IUPAC name of methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate?
The IUPAC name of methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate (CID 526774) is methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate.
What is the SMILES notation for methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate?
The canonical SMILES for methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate is CCCCCCCCCC(CCCCCCCC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate?
The InChIKey is ONGADZBOOWEJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O3Si/c1-8-9-10-11-12-14-17-20-23(28-29(6,7)25(2,3)4)21-18-15-13-16-19-22-24(26)27-5/h23H,8-22H2,1-7H3.
What are the key properties of methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate?
methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate has a molecular weight of 428.77 g/mol, XLogP of 8.42, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[tert-butyl(dimethyl)silyl]oxyoctadecanoate is sourced from PubChem (CID 526774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).