methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate

C24H48O5Si — CID 5376168

IUPACmethyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate
SMILESCCCCCC(OC)C(O[Si](C)(C)C)C(/C=C\CCCCCCCC(=O)OC)OC
InChIInChI=1S/C24H48O5Si/c1-8-9-15-18-21(26-2)24(29-30(5,6)7)22(27-3)19-16-13-11-10-12-14-17-20-23(25)28-4/h16,19,21-22,24H,8-15,17-18,20H2,1-7H3/b19-16-
InChIKeyZOKWFXNHJPRPSX-MNDPQUGUSA-N
MW444.73 g/mol
LogP6.28
Rot. Bonds19

About methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate

methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate (PubChem CID 5376168) has the molecular formula C24H48O5Si and a molecular weight of 444.73 g/mol. Its IUPAC name is methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate
PubChem CID5376168
Molecular FormulaC24H48O5Si
Molecular Weight444.73 g/mol
Exact Mass444.33
IUPAC Namemethyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate
SMILESCCCCCC(OC)C(O[Si](C)(C)C)C(/C=C\CCCCCCCC(=O)OC)OC
InChIInChI=1S/C24H48O5Si/c1-8-9-15-18-21(26-2)24(29-30(5,6)7)22(27-3)19-16-13-11-10-12-14-17-20-23(25)28-4/h16,19,21-22,24H,8-15,17-18,20H2,1-7H3/b19-16-
InChIKeyZOKWFXNHJPRPSX-MNDPQUGUSA-N
XLogP6.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.73
LogP ≤ 56.28
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)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-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
11,13-Dimethoxy-12-hydroxy-9-octadecenoic acid
CID 5283023
12,13-Dihydroxy-11-methoxy-9-octadecenoic acid
CID 5283026
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

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate?
The IUPAC name of methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate (CID 5376168) is methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate.
What is the SMILES notation for methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate?
The canonical SMILES for methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate is CCCCCC(OC)C(O[Si](C)(C)C)C(/C=C\CCCCCCCC(=O)OC)OC.
What is the InChIKey of methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate?
The InChIKey is ZOKWFXNHJPRPSX-MNDPQUGUSA-N. The full InChI is InChI=1S/C24H48O5Si/c1-8-9-15-18-21(26-2)24(29-30(5,6)7)22(27-3)19-16-13-11-10-12-14-17-20-23(25)28-4/h16,19,21-22,24H,8-15,17-18,20H2,1-7H3/b19-16-.
What are the key properties of methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate?
methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate has a molecular weight of 444.73 g/mol, XLogP of 6.28, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-11,13-dimethoxy-12-trimethylsilyloxyoctadec-9-enoate is sourced from PubChem (CID 5376168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).