methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate

C26H54O5Si2 — CID 5366742

IUPACmethyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate
SMILESCCCCCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(/C=C\CCCCCCCC(=O)OC)OC
InChIInChI=1S/C26H54O5Si2/c1-10-11-17-21-24(30-32(4,5)6)26(31-33(7,8)9)23(28-2)20-18-15-13-12-14-16-19-22-25(27)29-3/h18,20,23-24,26H,10-17,19,21-22H2,1-9H3/b20-18-
InChIKeyAQNNZECPMNPRIO-ZZEZOPTASA-N
MW502.89 g/mol
LogP7.48
Rot. Bonds20

About methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate

methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate (PubChem CID 5366742) has the molecular formula C26H54O5Si2 and a molecular weight of 502.89 g/mol. Its IUPAC name is methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate
PubChem CID5366742
Molecular FormulaC26H54O5Si2
Molecular Weight502.89 g/mol
Exact Mass502.35
IUPAC Namemethyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate
SMILESCCCCCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(/C=C\CCCCCCCC(=O)OC)OC
InChIInChI=1S/C26H54O5Si2/c1-10-11-17-21-24(30-32(4,5)6)26(31-33(7,8)9)23(28-2)20-18-15-13-12-14-16-19-22-25(27)29-3/h18,20,23-24,26H,10-17,19,21-22H2,1-9H3/b20-18-
InChIKeyAQNNZECPMNPRIO-ZZEZOPTASA-N
XLogP7.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.89
LogP ≤ 57.48
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)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate with MolForge

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Related Compounds

methyl (E,9R,12S,13S)-9,12,13-triacetyloxyoctadec-10-enoate
CID 163017565
methyl (9R,10E,12S,13S,15Z)-9,12,13-triacetyloxyoctadeca-10,15-dienoate
CID 163030925
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
13-Trimethylsiloxy 9,11-octadecadienoic methyl ester
CID 85931395
9,12,15-Octadecatrienoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester, (Z,Z,Z)-
CID 5362857
Methyl (11R,12R,13S)-(Z)-12,13-epoxy-11-methoxy-9-octadecenoate
CID 5366268
9,12,15-Octadecatrienoic acid, 2,3-bis[(trimethylsilyl)oxy]propyl ester, (Z,Z,Z)-
CID 5366384
2,3-Bis[(trimethylsilyl)oxy]propyl (9Z,12Z)-9,12-octadecadienoate
CID 5366692
2-Monolinoleoylglycerol trimethylsilyl ether
CID 5377604

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate?
The IUPAC name of methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate (CID 5366742) is methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate.
What is the SMILES notation for methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate?
The canonical SMILES for methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate is CCCCCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(/C=C\CCCCCCCC(=O)OC)OC.
What is the InChIKey of methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate?
The InChIKey is AQNNZECPMNPRIO-ZZEZOPTASA-N. The full InChI is InChI=1S/C26H54O5Si2/c1-10-11-17-21-24(30-32(4,5)6)26(31-33(7,8)9)23(28-2)20-18-15-13-12-14-16-19-22-25(27)29-3/h18,20,23-24,26H,10-17,19,21-22H2,1-9H3/b20-18-.
What are the key properties of methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate?
methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate has a molecular weight of 502.89 g/mol, XLogP of 7.48, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-11-methoxy-12,13-bis(trimethylsilyloxy)octadec-9-enoate is sourced from PubChem (CID 5366742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).