trimethylsilyl 17-methyloctadecanoate

C22H46O2Si — CID 91752780

IUPACtrimethylsilyl 17-methyloctadecanoate
SMILESCC(C)CCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H46O2Si/c1-21(2)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22(23)24-25(3,4)5/h21H,6-20H2,1-5H3
InChIKeyCHKQVJYRLNSJTF-UHFFFAOYSA-N
MW370.69 g/mol
LogP7.87
Rot. Bonds17

About trimethylsilyl 17-methyloctadecanoate

trimethylsilyl 17-methyloctadecanoate (PubChem CID 91752780) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is trimethylsilyl 17-methyloctadecanoate.

Molecular Properties

Compound Nametrimethylsilyl 17-methyloctadecanoate
PubChem CID91752780
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Nametrimethylsilyl 17-methyloctadecanoate
SMILESCC(C)CCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H46O2Si/c1-21(2)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22(23)24-25(3,4)5/h21H,6-20H2,1-5H3
InChIKeyCHKQVJYRLNSJTF-UHFFFAOYSA-N
XLogP7.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethylsilyl 17-methyloctadecanoate 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 8-methyltetradecanoate
CID 526098
trimethylsilyl 10-methyltricosanoate
CID 91747658
7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
methyl 21-methyldocosanoate
CID 14178788
[(2R)-2-hydroxy-3-(14-methylpentadecanoyloxy)propyl] 17-methyloctadecanoate
CID 131799984
[(2S)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] 15-methylhexadecanoate
CID 131800040
[(2R)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] 19-methylicosanoate
CID 131799441
[(2R)-2-hydroxy-3-(13-methyltetradecanoyloxy)propyl] 19-methylicosanoate
CID 131799886
[(2S)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] 12-methyltridecanoate
CID 131799652
[(2S)-2-hydroxy-3-(17-methyloctadecanoyloxy)propyl] 22-methyltricosanoate
CID 131800846
[2-hydroxy-3-(15-methylhexadecanoyloxy)propyl] 15-methylhexadecanoate
CID 131800112
[(2R)-2-hydroxy-3-(12-methyltridecanoyloxy)propyl] 18-methylnonadecanoate
CID 131799718

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 17-methyloctadecanoate?
The IUPAC name of trimethylsilyl 17-methyloctadecanoate (CID 91752780) is trimethylsilyl 17-methyloctadecanoate.
What is the SMILES notation for trimethylsilyl 17-methyloctadecanoate?
The canonical SMILES for trimethylsilyl 17-methyloctadecanoate is CC(C)CCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 17-methyloctadecanoate?
The InChIKey is CHKQVJYRLNSJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-21(2)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22(23)24-25(3,4)5/h21H,6-20H2,1-5H3.
What are the key properties of trimethylsilyl 17-methyloctadecanoate?
trimethylsilyl 17-methyloctadecanoate has a molecular weight of 370.69 g/mol, XLogP of 7.87, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 17-methyloctadecanoate is sourced from PubChem (CID 91752780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).