methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate

C28H60O5Si3 — CID 6421160

IUPACmethyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate
SMILESCCC(CCC(O[Si](C)(C)C)C(C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H60O5Si3/c1-12-25(31-34(3,4)5)23-24-27(33-36(9,10)11)26(32-35(6,7)8)21-19-17-15-13-14-16-18-20-22-28(29)30-2/h17,19,25-27H,12-16,18,20-24H2,1-11H3/b19-17-
InChIKeySOWBKVXCIIEDQQ-ZPHPHTNESA-N
MW561.04 g/mol
LogP8.69
Rot. Bonds21

About methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate

methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate (PubChem CID 6421160) has the molecular formula C28H60O5Si3 and a molecular weight of 561.04 g/mol. Its IUPAC name is methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate
PubChem CID6421160
Molecular FormulaC28H60O5Si3
Molecular Weight561.04 g/mol
Exact Mass560.37
IUPAC Namemethyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate
SMILESCCC(CCC(O[Si](C)(C)C)C(C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H60O5Si3/c1-12-25(31-34(3,4)5)23-24-27(33-36(9,10)11)26(32-35(6,7)8)21-19-17-15-13-14-16-18-20-22-28(29)30-2/h17,19,25-27H,12-16,18,20-24H2,1-11H3/b19-17-
InChIKeySOWBKVXCIIEDQQ-ZPHPHTNESA-N
XLogP8.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.04
LogP ≤ 58.69
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'}

Analyze methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-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

1-Monooleoylglycerol trimethylsilyl ether
CID 5366386
9-Octadecenoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 5366530
(z,z,z)9,12,15-Octadecatrienoic acid 2,3-bis[(trimethylsilyl)oxy]propyl ester
CID 21160049
Methyl 9,12,13-tris-(trimethylsilyloxy)-10-octadecenoate
CID 85854561
9,12,15-Octadecatrienoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester, (Z,Z,Z)-
CID 5362857
9,12,15-Octadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)-
CID 5366384
9-Octadecenoic acid, 18-(trimethylsiloxy)-, methyl ester
CID 5366421
2,3-Bis[(trimethylsilyl)oxy]propyl (9Z,12Z)-9,12-octadecadienoate
CID 5366692
2-Monolinoleoylglycerol trimethylsilyl ether
CID 5377604
(9Z,12Z,15Z)-2,2,8,8-Tetramethyl-3,7-dioxa-2,8-disilanonan-5-yl octadeca-9,12,15-trienoate
CID 21159708
Ricinoleic tms ether
CID 129675815
Methyl 13-oxo-9,12-bis(tri-methylsilyloxy)-10-octadecenoate
CID 129726598

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate?
The IUPAC name of methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate (CID 6421160) is methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate.
What is the SMILES notation for methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate?
The canonical SMILES for methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate is CCC(CCC(O[Si](C)(C)C)C(C/C=C\CCCCCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate?
The InChIKey is SOWBKVXCIIEDQQ-ZPHPHTNESA-N. The full InChI is InChI=1S/C28H60O5Si3/c1-12-25(31-34(3,4)5)23-24-27(33-36(9,10)11)26(32-35(6,7)8)21-19-17-15-13-14-16-18-20-22-28(29)30-2/h17,19,25-27H,12-16,18,20-24H2,1-11H3/b19-17-.
What are the key properties of methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate?
methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate has a molecular weight of 561.04 g/mol, XLogP of 8.69, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-12,13,16-tris(trimethylsilyloxy)octadec-9-enoate is sourced from PubChem (CID 6421160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).