tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate

C16H30O3Si — CID 15660627

IUPACtert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
SMILESCC(C)(C)OC(=O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-15(2,3)19-14(17)12-10-9-11-13-18-20(7,8)16(4,5)6/h9-12H,13H2,1-8H3/b11-9+,12-10+
InChIKeyNUUUMPHZAXBHRS-WGDLNXRISA-N
MW298.50 g/mol
LogP4.46
Rot. Bonds5

About tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate

tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate (PubChem CID 15660627) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate.

Molecular Properties

Compound Nametert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
PubChem CID15660627
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nametert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
SMILESCC(C)(C)OC(=O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-15(2,3)19-14(17)12-10-9-11-13-18-20(7,8)16(4,5)6/h9-12H,13H2,1-8H3/b11-9+,12-10+
InChIKeyNUUUMPHZAXBHRS-WGDLNXRISA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.46
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

2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 20767020
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
CID 10538148
methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate
CID 10979372
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11150309
ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate
CID 11390731
ethyl (2E)-4-trimethylsilylnona-2,4,5,8-tetraenoate
CID 11448091
ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
CID 12772798

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The IUPAC name of tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate (CID 15660627) is tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate.
What is the SMILES notation for tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The canonical SMILES for tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate is CC(C)(C)OC(=O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The InChIKey is NUUUMPHZAXBHRS-WGDLNXRISA-N. The full InChI is InChI=1S/C16H30O3Si/c1-15(2,3)19-14(17)12-10-9-11-13-18-20(7,8)16(4,5)6/h9-12H,13H2,1-8H3/b11-9+,12-10+.
What are the key properties of tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate has a molecular weight of 298.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate is sourced from PubChem (CID 15660627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).