methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate

C24H48O5Si — CID 5375614

IUPACmethyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate
SMILESCCCCCC(/C=C/C(OC)C(CCCCCCCC(=O)OC)OC)O[Si](C)(C)C
InChIInChI=1S/C24H48O5Si/c1-8-9-13-16-21(29-30(5,6)7)19-20-23(27-3)22(26-2)17-14-11-10-12-15-18-24(25)28-4/h19-23H,8-18H2,1-7H3/b20-19+
InChIKeyOHWZLQONYZSWCJ-FMQUCBEESA-N
MW444.73 g/mol
LogP6.28
Rot. Bonds19

About methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate

methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate (PubChem CID 5375614) has the molecular formula C24H48O5Si and a molecular weight of 444.73 g/mol. Its IUPAC name is methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate.

Molecular Properties

Compound Namemethyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate
PubChem CID5375614
Molecular FormulaC24H48O5Si
Molecular Weight444.73 g/mol
Exact Mass444.33
IUPAC Namemethyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate
SMILESCCCCCC(/C=C/C(OC)C(CCCCCCCC(=O)OC)OC)O[Si](C)(C)C
InChIInChI=1S/C24H48O5Si/c1-8-9-13-16-21(29-30(5,6)7)19-20-23(27-3)22(26-2)17-14-11-10-12-15-18-24(25)28-4/h19-23H,8-18H2,1-7H3/b20-19+
InChIKeyOHWZLQONYZSWCJ-FMQUCBEESA-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 (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate with MolForge

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Related Compounds

methyl (9Z,11E,13S,15Z)-13-acetyloxyoctadeca-9,11,15-trienoate
CID 162894314
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
(13s,9e,11e)-Methyl 13-t-butyldimethylsilyloxy-9,11-tetradecadienoate
CID 129703585
9,10-Dimethoxy-13-hydroxy-11-octadecenoic acid
CID 5283024
9,12-Dimethoxy-13-hydroxy-10-octadecenoic acid
CID 5283025
9,12,15-Octadecatrienoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester, (Z,Z,Z)-
CID 5362857

Frequently Asked Questions

What is the IUPAC name of methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate?
The IUPAC name of methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate (CID 5375614) is methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate.
What is the SMILES notation for methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate?
The canonical SMILES for methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate is CCCCCC(/C=C/C(OC)C(CCCCCCCC(=O)OC)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate?
The InChIKey is OHWZLQONYZSWCJ-FMQUCBEESA-N. The full InChI is InChI=1S/C24H48O5Si/c1-8-9-13-16-21(29-30(5,6)7)19-20-23(27-3)22(26-2)17-14-11-10-12-15-18-24(25)28-4/h19-23H,8-18H2,1-7H3/b20-19+.
What are the key properties of methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate?
methyl (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-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 (E)-9,10-dimethoxy-13-trimethylsilyloxyoctadec-11-enoate is sourced from PubChem (CID 5375614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).