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

C12H22O2Si — CID 5374163

IUPAC[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-8-9-10-11(13)14-15(5,6)12(2,3)4/h7-10H,1-6H3/b8-7+,10-9+
InChIKeyRMMQSJCVPYRGHF-XBLVEGMJSA-N
MW226.39 g/mol
LogP3.67
Rot. Bonds3

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

[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate (PubChem CID 5374163) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
PubChem CID5374163
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
SMILESC/C=C/C=C/C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H22O2Si/c1-7-8-9-10-11(13)14-15(5,6)12(2,3)4/h7-10H,1-6H3/b8-7+,10-9+
InChIKeyRMMQSJCVPYRGHF-XBLVEGMJSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tert-butyl (2E,4E)-octa-2,4,6-trienoate
CID 131887303
[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate
CID 11087474
chloromethyl (2E,4E)-hexa-2,4-dienoate
CID 88646612
bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
CID 91741643
tert-butyl-[(1Z,3Z)-1-methoxypenta-1,3-dienoxy]-dimethylsilane
CID 11817041
tert-butyl-[(1E,3E)-1-methoxypenta-1,3-dienoxy]-dimethylsilane
CID 12047910
2-[[4-[tert-butyl(dimethyl)silyl]oxy-4-oxobut-2-enyl]amino]acetic acid
CID 131715956
potassium;sodium;[(2E,4E)-hexa-2,4-dienoyl] (2E,4E)-hexa-2,4-dieneperoxoate;hydride
CID 173044969
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
CID 173249378
potassium;(2E,4E)-hexa-2,4-dieneperoxoic acid;hydride
CID 174428854
1,1,1-trihydroxybutan-2-yl (2E,4E)-hexa-2,4-dienoate
CID 156705703

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate (CID 5374163) is [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate is C/C=C/C=C/C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate?
The InChIKey is RMMQSJCVPYRGHF-XBLVEGMJSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-7-8-9-10-11(13)14-15(5,6)12(2,3)4/h7-10H,1-6H3/b8-7+,10-9+.
What are the key properties of [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate?
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate has a molecular weight of 226.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate is sourced from PubChem (CID 5374163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).