methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate

C25H32O3Si — CID 44632186

IUPACmethyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate
SMILESCOC(=O)/C(C)=C/C=C(/C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O3Si/c1-20(17-18-21(2)24(26)27-6)19-28-29(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18H,19H2,1-6H3/b20-17-,21-18+
InChIKeyRZUPLJNHEVPFJA-WPDZNWIASA-N
MW408.61 g/mol
LogP4.63
Rot. Bonds7

About methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate

methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate (PubChem CID 44632186) has the molecular formula C25H32O3Si and a molecular weight of 408.61 g/mol. Its IUPAC name is methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate
PubChem CID44632186
Molecular FormulaC25H32O3Si
Molecular Weight408.61 g/mol
Exact Mass408.21
IUPAC Namemethyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate
SMILESCOC(=O)/C(C)=C/C=C(/C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O3Si/c1-20(17-18-21(2)24(26)27-6)19-28-29(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18H,19H2,1-6H3/b20-17-,21-18+
InChIKeyRZUPLJNHEVPFJA-WPDZNWIASA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Propenoic acid, 2-methyl-, (dimethylphenylsilyl)methyl ester
CID 22486740
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-, (S)-
CID 10991787
ethyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enoate
CID 44134231
methyl (Z)-2-[[dimethyl(phenyl)silyl]methyl]-3-(3-fluorophenyl)prop-2-enoate
CID 72723028
Trimethoxy(methyl)silane;trimethoxy(phenyl)silane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 170852378
methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate
CID 10358911
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10883073
ethyl (Z,4R)-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methylhex-2-enoate
CID 11166530
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal
CID 11782738
Methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate
CID 14778762
methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate
CID 15681861
ethyl (E)-3-[dimethyl(phenyl)silyl]but-2-enoate
CID 102185799

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate (CID 44632186) is methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate is COC(=O)/C(C)=C/C=C(/C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate?
The InChIKey is RZUPLJNHEVPFJA-WPDZNWIASA-N. The full InChI is InChI=1S/C25H32O3Si/c1-20(17-18-21(2)24(26)27-6)19-28-29(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18H,19H2,1-6H3/b20-17-,21-18+.
What are the key properties of methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate?
methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate has a molecular weight of 408.61 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate is sourced from PubChem (CID 44632186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).