trimethylsilyl (E)-12-methyloctadec-11-enoate

C22H44O2Si — CID 91697180

IUPACtrimethylsilyl (E)-12-methyloctadec-11-enoate
SMILESCCCCCC/C(C)=C/CCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H44O2Si/c1-6-7-8-15-18-21(2)19-16-13-11-9-10-12-14-17-20-22(23)24-25(3,4)5/h19H,6-18,20H2,1-5H3/b21-19+
InChIKeyIRYUGAPZMABRRD-XUTLUUPISA-N
MW368.68 g/mol
LogP7.79
Rot. Bonds16

About trimethylsilyl (E)-12-methyloctadec-11-enoate

trimethylsilyl (E)-12-methyloctadec-11-enoate (PubChem CID 91697180) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is trimethylsilyl (E)-12-methyloctadec-11-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-12-methyloctadec-11-enoate
PubChem CID91697180
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Nametrimethylsilyl (E)-12-methyloctadec-11-enoate
SMILESCCCCCC/C(C)=C/CCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H44O2Si/c1-6-7-8-15-18-21(2)19-16-13-11-9-10-12-14-17-20-22(23)24-25(3,4)5/h19H,6-18,20H2,1-5H3/b21-19+
InChIKeyIRYUGAPZMABRRD-XUTLUUPISA-N
XLogP7.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 57.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trimethylsilyl (E)-12-methyloctadec-11-enoate 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 (E)-octadec-11-enoate
CID 5366419
trimethylsilyl icosanoate
CID 521648
trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
CID 91696446
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
trimethylsilyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 5366427
trimethyl(tridec-6-en-7-yloxy)silane
CID 71373988
(E)-1-bromo-5-methylicos-4-ene
CID 172556960

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (E)-12-methyloctadec-11-enoate?
The IUPAC name of trimethylsilyl (E)-12-methyloctadec-11-enoate (CID 91697180) is trimethylsilyl (E)-12-methyloctadec-11-enoate.
What is the SMILES notation for trimethylsilyl (E)-12-methyloctadec-11-enoate?
The canonical SMILES for trimethylsilyl (E)-12-methyloctadec-11-enoate is CCCCCC/C(C)=C/CCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-12-methyloctadec-11-enoate?
The InChIKey is IRYUGAPZMABRRD-XUTLUUPISA-N. The full InChI is InChI=1S/C22H44O2Si/c1-6-7-8-15-18-21(2)19-16-13-11-9-10-12-14-17-20-22(23)24-25(3,4)5/h19H,6-18,20H2,1-5H3/b21-19+.
What are the key properties of trimethylsilyl (E)-12-methyloctadec-11-enoate?
trimethylsilyl (E)-12-methyloctadec-11-enoate has a molecular weight of 368.68 g/mol, XLogP of 7.79, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-12-methyloctadec-11-enoate is sourced from PubChem (CID 91697180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).