methyl (E)-13-trimethylsilyloxyoctadec-11-enoate

C22H44O3Si — CID 10000118

IUPACmethyl (E)-13-trimethylsilyloxyoctadec-11-enoate
SMILESCCCCCC(/C=C/CCCCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-6-7-15-18-21(25-26(3,4)5)19-16-13-11-9-8-10-12-14-17-20-22(23)24-2/h16,19,21H,6-15,17-18,20H2,1-5H3/b19-16+
InChIKeyOEBFDVCNCPOLIP-KNTRCKAVSA-N
MW384.68 g/mol
LogP7.03
Rot. Bonds17

About methyl (E)-13-trimethylsilyloxyoctadec-11-enoate

methyl (E)-13-trimethylsilyloxyoctadec-11-enoate (PubChem CID 10000118) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is methyl (E)-13-trimethylsilyloxyoctadec-11-enoate.

Molecular Properties

Compound Namemethyl (E)-13-trimethylsilyloxyoctadec-11-enoate
PubChem CID10000118
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Namemethyl (E)-13-trimethylsilyloxyoctadec-11-enoate
SMILESCCCCCC(/C=C/CCCCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-6-7-15-18-21(25-26(3,4)5)19-16-13-11-9-8-10-12-14-17-20-22(23)24-2/h16,19,21H,6-15,17-18,20H2,1-5H3/b19-16+
InChIKeyOEBFDVCNCPOLIP-KNTRCKAVSA-N
XLogP7.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 57.03
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
methyl (Z)-8-hydroperoxyoctadec-9-enoate
CID 13357351
methyl 9-hydroxyhexadec-7-enoate
CID 73069311
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
methyl 9,10-bis(trimethylsilyloxy)octadecanoate
CID 553462
methyl (10E,12E)-9-butylperoxyoctadeca-10,12-dienoate
CID 21158586
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-7-enoate
CID 5364440
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314

Frequently Asked Questions

What is the IUPAC name of methyl (E)-13-trimethylsilyloxyoctadec-11-enoate?
The IUPAC name of methyl (E)-13-trimethylsilyloxyoctadec-11-enoate (CID 10000118) is methyl (E)-13-trimethylsilyloxyoctadec-11-enoate.
What is the SMILES notation for methyl (E)-13-trimethylsilyloxyoctadec-11-enoate?
The canonical SMILES for methyl (E)-13-trimethylsilyloxyoctadec-11-enoate is CCCCCC(/C=C/CCCCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (E)-13-trimethylsilyloxyoctadec-11-enoate?
The InChIKey is OEBFDVCNCPOLIP-KNTRCKAVSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-6-7-15-18-21(25-26(3,4)5)19-16-13-11-9-8-10-12-14-17-20-22(23)24-2/h16,19,21H,6-15,17-18,20H2,1-5H3/b19-16+.
What are the key properties of methyl (E)-13-trimethylsilyloxyoctadec-11-enoate?
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate has a molecular weight of 384.68 g/mol, XLogP of 7.03, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-13-trimethylsilyloxyoctadec-11-enoate is sourced from PubChem (CID 10000118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).