methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate

C19H38O3Si — CID 11782847

IUPACmethyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate
SMILESCOC(=O)CC/C=C/CCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-19(2,3)23(5,6)22-17-15-13-11-9-7-8-10-12-14-16-18(20)21-4/h10,12H,7-9,11,13-17H2,1-6H3/b12-10+
InChIKeyCLFOINAQKXNKAI-ZRDIBKRKSA-N
MW342.60 g/mol
LogP5.86
Rot. Bonds12

About methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate

methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate (PubChem CID 11782847) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate.

Molecular Properties

Compound Namemethyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate
PubChem CID11782847
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Namemethyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate
SMILESCOC(=O)CC/C=C/CCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-19(2,3)23(5,6)22-17-15-13-11-9-7-8-10-12-14-16-18(20)21-4/h10,12H,7-9,11,13-17H2,1-6H3/b12-10+
InChIKeyCLFOINAQKXNKAI-ZRDIBKRKSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Oleic acid, trimethylsilyl ester
CID 5366433
Linoleic acid trimethylsilyl ester
CID 5352430
Trimethylsilyl (3Z,6Z,9Z)-3,6,9-octadecatrienoate
CID 5366426
Trimethylsilyl (9E)-9-octadecenoate
CID 5352431
Palmitoleic acid trimethylsilyl ester
CID 5352900
tert-Butyldimethylsilyl oleate
CID 71571457
Octadec-9-en-1-yl butanoate
CID 54521729
(Z)-7-Octadecenyl butyrate
CID 56935997
(13s,9e,11e)-Methyl 13-t-butyldimethylsilyloxy-9,11-tetradecadienoate
CID 129703585
Elaidyl butyrate
CID 13236802
Oleyl Butyrate
CID 86739071
8-Octadecenoic acid, trimethylsilyl ester
CID 5352347

Frequently Asked Questions

What is the IUPAC name of methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate?
The IUPAC name of methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate (CID 11782847) is methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate.
What is the SMILES notation for methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate?
The canonical SMILES for methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate is COC(=O)CC/C=C/CCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate?
The InChIKey is CLFOINAQKXNKAI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-19(2,3)23(5,6)22-17-15-13-11-9-7-8-10-12-14-16-18(20)21-4/h10,12H,7-9,11,13-17H2,1-6H3/b12-10+.
What are the key properties of methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate?
methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate has a molecular weight of 342.60 g/mol, XLogP of 5.86, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-4-enoate is sourced from PubChem (CID 11782847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).