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

C14H26O3Si — CID 12772798

IUPACethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h8-11H,7,12H2,1-6H3/b10-8+,11-9+
InChIKeyBKZRAKWEMJQCND-GFULKKFKSA-N
MW270.44 g/mol
LogP3.68
Rot. Bonds6

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

ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate (PubChem CID 12772798) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
PubChem CID12772798
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Nameethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
SMILESCCOC(=O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h8-11H,7,12H2,1-6H3/b10-8+,11-9+
InChIKeyBKZRAKWEMJQCND-GFULKKFKSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.68
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, 2-methylpropyl ester
CID 6437419
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
3-(Methoxydimethylsilyl)propyl Acrylate
CID 9813088
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
ethyl 5-trimethylsilyl-(E)-2-penten-4-ynoate
CID 12398706
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
CID 20767020
3-[[3-But-2-enoyloxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl but-2-enoate
CID 53652775

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate (CID 12772798) is ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate is CCOC(=O)/C=C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The InChIKey is BKZRAKWEMJQCND-GFULKKFKSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-7-16-13(15)11-9-8-10-12-17-18(5,6)14(2,3)4/h8-11H,7,12H2,1-6H3/b10-8+,11-9+.
What are the key properties of ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate has a molecular weight of 270.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate is sourced from PubChem (CID 12772798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).