methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate

C14H26O4Si — CID 71567020

IUPACmethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
SMILESCOC(=O)/C=C/C(=C\CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(6,7)18-11-10-12(16-4)8-9-13(15)17-5/h8-10H,11H2,1-7H3/b9-8+,12-10+
InChIKeyVKTLNAFVENCRTF-CDKJVOIVSA-N
MW286.44 g/mol
LogP3.27
Rot. Bonds6

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

methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate (PubChem CID 71567020) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
PubChem CID71567020
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Namemethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
SMILESCOC(=O)/C=C/C(=C\CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(6,7)18-11-10-12(16-4)8-9-13(15)17-5/h8-10H,11H2,1-7H3/b9-8+,12-10+
InChIKeyVKTLNAFVENCRTF-CDKJVOIVSA-N
XLogP3.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
methyl (2Z,4Z)-3,5-bis(trimethylsilyloxy)hexa-2,4-dienoate
CID 102509762
(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
3-[Tert-butyl(dimethyl)silyl]oxypyran-2-one
CID 85641539
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienoate
CID 10538148
[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxypenta-1,3-dienyl] acetate
CID 10858104
methyl (2E,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,4,6-trienoate
CID 10979372
ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
CID 12772798
4-Trimethylsilyloxypyran-2-one
CID 13679169

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate (CID 71567020) is methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate is COC(=O)/C=C/C(=C\CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate?
The InChIKey is VKTLNAFVENCRTF-CDKJVOIVSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)19(6,7)18-11-10-12(16-4)8-9-13(15)17-5/h8-10H,11H2,1-7H3/b9-8+,12-10+.
What are the key properties of methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate?
methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate has a molecular weight of 286.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate is sourced from PubChem (CID 71567020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).