methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate

C16H28O3Si — CID 10979372

IUPACmethyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate
SMILESCOC(=O)/C(C)=C/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-14(15(17)18-5)12-10-8-9-11-13-19-20(6,7)16(2,3)4/h8-12H,13H2,1-7H3/b10-8+,11-9+,14-12+
InChIKeyCWDAREPRVQRAIS-YXULGHPXSA-N
MW296.48 g/mol
LogP4.24
Rot. Bonds6

About methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate

methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate (PubChem CID 10979372) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate.

Molecular Properties

Compound Namemethyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate
PubChem CID10979372
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Namemethyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate
SMILESCOC(=O)/C(C)=C/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-14(15(17)18-5)12-10-8-9-11-13-19-20(6,7)16(2,3)4/h8-12H,13H2,1-7H3/b10-8+,11-9+,14-12+
InChIKeyCWDAREPRVQRAIS-YXULGHPXSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.24
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
3-(Triallylsilyl)propyl Methacrylate (stabilized with MEHQ)
CID 125401955
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
Ethyl (e)-4-((tert-butyldimethylsilyl)oxy)-3-methylbut-2-enoate
CID 11737024
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
CID 10538148
methyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11043847
ethyl (2E,4E)-2-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoate
CID 11390731
ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate
CID 11401400
[dimethyl(2-methylidenebut-3-enyl)silyl]methyl (E)-but-2-enoate
CID 12164306

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate?
The IUPAC name of methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate (CID 10979372) is methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate.
What is the SMILES notation for methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate?
The canonical SMILES for methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate is COC(=O)/C(C)=C/C=C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate?
The InChIKey is CWDAREPRVQRAIS-YXULGHPXSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-14(15(17)18-5)12-10-8-9-11-13-19-20(6,7)16(2,3)4/h8-12H,13H2,1-7H3/b10-8+,11-9+,14-12+.
What are the key properties of methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate?
methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate has a molecular weight of 296.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate is sourced from PubChem (CID 10979372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).