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

C15H28O4Si — CID 135041549

IUPACethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
SMILESCCOC(=O)/C=C/C(=C/CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C15H28O4Si/c1-8-18-14(16)10-9-13(17-5)11-12-19-20(6,7)15(2,3)4/h9-11H,8,12H2,1-7H3/b10-9+,13-11-
InChIKeyBDFBONMUPRPORL-LTCRFSFDSA-N
MW300.47 g/mol
LogP3.66
Rot. Bonds7

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

ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate (PubChem CID 135041549) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
PubChem CID135041549
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate
SMILESCCOC(=O)/C=C/C(=C/CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C15H28O4Si/c1-8-18-14(16)10-9-13(17-5)11-12-19-20(6,7)15(2,3)4/h9-11H,8,12H2,1-7H3/b10-9+,13-11-
InChIKeyBDFBONMUPRPORL-LTCRFSFDSA-N
XLogP3.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.66
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
(5Z)-5-[(E)-3-trimethylsilylprop-2-enylidene]furan-2-one
CID 11194895
(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-Methylacryloxypropyltrimethoxysilane
CID 54181231
Methylacryloxypropyl triethoxysilane
CID 54397623
3-[Tert-butyl(dimethyl)silyl]oxypyran-2-one
CID 85641539
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)-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 ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate?
The IUPAC name of ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate (CID 135041549) is ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate?
The canonical SMILES for ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate is CCOC(=O)/C=C/C(=C/CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate?
The InChIKey is BDFBONMUPRPORL-LTCRFSFDSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-18-14(16)10-9-13(17-5)11-12-19-20(6,7)15(2,3)4/h9-11H,8,12H2,1-7H3/b10-9+,13-11-.
What are the key properties of ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate?
ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate has a molecular weight of 300.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhexa-2,4-dienoate is sourced from PubChem (CID 135041549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).