trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate

C24H50O3Si2 — CID 5366665

IUPACtrimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate
SMILESCCCCCCC(C/C=C\CCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H50O3Si2/c1-8-9-10-17-20-23(26-28(2,3)4)21-18-15-13-11-12-14-16-19-22-24(25)27-29(5,6)7/h15,18,23H,8-14,16-17,19-22H2,1-7H3/b18-15-
InChIKeyLBRTWLSBAWJDOP-SDXDJHTJSA-N
MW442.83 g/mol
LogP8.23
Rot. Bonds18

About trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate

trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate (PubChem CID 5366665) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate
PubChem CID5366665
Molecular FormulaC24H50O3Si2
Molecular Weight442.83 g/mol
Exact Mass442.33
IUPAC Nametrimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate
SMILESCCCCCCC(C/C=C\CCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H50O3Si2/c1-8-9-10-17-20-23(26-28(2,3)4)21-18-15-13-11-12-14-16-19-22-24(25)27-29(5,6)7/h15,18,23H,8-14,16-17,19-22H2,1-7H3/b18-15-
InChIKeyLBRTWLSBAWJDOP-SDXDJHTJSA-N
XLogP8.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 58.23
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 acetyl ricinoleate
CID 5354176
Isopropyl Oleate
CID 5356108
Isopropyl Linoleate
CID 5352860
9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z,12R)-
CID 5354171
Methyl O-acetylricinoleate
CID 5282107
9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl ester
CID 89882
Isopropyl 9Z-hexadecenoate
CID 5352859
Oleic acid, trimethylsilyl ester
CID 5366433
Isopropyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
CID 14947687
Isopropyl 9Z-tetradecenoate
CID 56936038
Butyl 12-acetyloxyoctadec-9-enoate
CID 8781
Linoleic acid trimethylsilyl ester
CID 5352430

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate?
The IUPAC name of trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate (CID 5366665) is trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate.
What is the SMILES notation for trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate?
The canonical SMILES for trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate is CCCCCCC(C/C=C\CCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate?
The InChIKey is LBRTWLSBAWJDOP-SDXDJHTJSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-8-9-10-17-20-23(26-28(2,3)4)21-18-15-13-11-12-14-16-19-22-24(25)27-29(5,6)7/h15,18,23H,8-14,16-17,19-22H2,1-7H3/b18-15-.
What are the key properties of trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate?
trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate has a molecular weight of 442.83 g/mol, XLogP of 8.23, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z)-12-trimethylsilyloxyoctadec-9-enoate is sourced from PubChem (CID 5366665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).