trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate

C30H66O5Si4 — CID 91750157

IUPACtrimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate
SMILESC[Si](C)(C)OCCCCC/C=C\CC(O[Si](C)(C)C)C(CCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C30H66O5Si4/c1-36(2,3)32-27-23-19-14-13-16-20-24-28(33-37(4,5)6)29(34-38(7,8)9)25-21-17-15-18-22-26-30(31)35-39(10,11)12/h16,20,28-29H,13-15,17-19,21-27H2,1-12H3/b20-16-
InChIKeyRICDMDUPMDRSDE-SILNSSARSA-N
MW619.20 g/mol
LogP9.89
Rot. Bonds23

About trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate

trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate (PubChem CID 91750157) has the molecular formula C30H66O5Si4 and a molecular weight of 619.20 g/mol. Its IUPAC name is trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate.

Molecular Properties

Compound Nametrimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate
PubChem CID91750157
Molecular FormulaC30H66O5Si4
Molecular Weight619.20 g/mol
Exact Mass618.40
IUPAC Nametrimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate
SMILESC[Si](C)(C)OCCCCC/C=C\CC(O[Si](C)(C)C)C(CCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C30H66O5Si4/c1-36(2,3)32-27-23-19-14-13-16-20-24-28(33-37(4,5)6)29(34-38(7,8)9)25-21-17-15-18-22-26-30(31)35-39(10,11)12/h16,20,28-29H,13-15,17-19,21-27H2,1-12H3/b20-16-
InChIKeyRICDMDUPMDRSDE-SILNSSARSA-N
XLogP9.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.20
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z,12R)-
CID 5354171
Methyl O-acetylricinoleate
CID 5282107
2-Methoxyethyl (9Z,12R)-12-(acetyloxy)-9-octadecenoate
CID 5354167
Oleic acid, trimethylsilyl ester
CID 5366433
Butyl 12-acetyloxyoctadec-9-enoate
CID 8781
Linoleic acid trimethylsilyl ester
CID 5352430
Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate
CID 5366426
Butyl O-acetylricinoleate
CID 92210058
Trimethylsilyl (9E)-9-octadecenoate
CID 5352431
Palmitoleic acid trimethylsilyl ester
CID 5352900
Methyl12-acetoxyelaidate
CID 5918603

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate?
The IUPAC name of trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate (CID 91750157) is trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate.
What is the SMILES notation for trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate?
The canonical SMILES for trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate is C[Si](C)(C)OCCCCC/C=C\CC(O[Si](C)(C)C)C(CCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate?
The InChIKey is RICDMDUPMDRSDE-SILNSSARSA-N. The full InChI is InChI=1S/C30H66O5Si4/c1-36(2,3)32-27-23-19-14-13-16-20-24-28(33-37(4,5)6)29(34-38(7,8)9)25-21-17-15-18-22-26-30(31)35-39(10,11)12/h16,20,28-29H,13-15,17-19,21-27H2,1-12H3/b20-16-.
What are the key properties of trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate?
trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate has a molecular weight of 619.20 g/mol, XLogP of 9.89, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (Z)-9,10,18-tris(trimethylsilyloxy)octadec-12-enoate is sourced from PubChem (CID 91750157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).