methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate

C19H38O3Si — CID 11772258

IUPACmethyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
SMILESCOC(=O)/C(C)=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-17(18(20)21-5)15-13-11-9-8-10-12-14-16-22-23(6,7)19(2,3)4/h15H,8-14,16H2,1-7H3/b17-15+
InChIKeyVPFPTIJLAIGGAN-BMRADRMJSA-N
MW342.60 g/mol
LogP5.86
Rot. Bonds11

About methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate

methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate (PubChem CID 11772258) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
PubChem CID11772258
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Namemethyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
SMILESCOC(=O)/C(C)=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-17(18(20)21-5)15-13-11-9-8-10-12-14-16-22-23(6,7)19(2,3)4/h15H,8-14,16H2,1-7H3/b17-15+
InChIKeyVPFPTIJLAIGGAN-BMRADRMJSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-(2-methyl-1-triethylsilyloxyprop-2-enyl)hexadec-2-enoate
CID 23729629
Dodecylfluorheptylmethacrylate
CID 139030774
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
1-fluorodecyl (E)-2-methylicos-2-enoate
CID 21938939
undecyl (E)-4-fluoro-2-methylundec-2-enoate
CID 139741369
1-fluorooctyl (E)-2-methylhexadec-2-enoate
CID 144629446
Heptadecyl 4-fluoro-2-methyltridec-2-enoate
CID 173149261
Tridecyl 4-fluoro-2-methylundec-2-enoate
CID 174998684
Dodecyl 4-fluoro-2-methyldec-2-enoate
CID 175013172
1-Fluorooctyl 2-methylpentadec-2-enoate
CID 175058203
Heptadecyl 4-fluoro-2-methyldodec-2-enoate
CID 175420866
Hexadecyl 4-fluoro-2-methyldodec-2-enoate
CID 175482564

Frequently Asked Questions

What is the IUPAC name of methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate?
The IUPAC name of methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate (CID 11772258) is methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate.
What is the SMILES notation for methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate?
The canonical SMILES for methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate is COC(=O)/C(C)=C/CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate?
The InChIKey is VPFPTIJLAIGGAN-BMRADRMJSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-17(18(20)21-5)15-13-11-9-8-10-12-14-16-22-23(6,7)19(2,3)4/h15H,8-14,16H2,1-7H3/b17-15+.
What are the key properties of methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate?
methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate has a molecular weight of 342.60 g/mol, XLogP of 5.86, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate is sourced from PubChem (CID 11772258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).