ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate

C15H28O3Si — CID 134856539

IUPACethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate
SMILESC=CC(O[Si](CC)(CC)CC)/C(C)=C/C(=O)OCC
InChIInChI=1S/C15H28O3Si/c1-7-14(13(6)12-15(16)17-8-2)18-19(9-3,10-4)11-5/h7,12,14H,1,8-11H2,2-6H3/b13-12+
InChIKeyUHRVJESXIDIAAY-OUKQBFOZSA-N
MW284.47 g/mol
LogP4.07
Rot. Bonds9

About ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate

ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate (PubChem CID 134856539) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate.

Molecular Properties

Compound Nameethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate
PubChem CID134856539
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Nameethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate
SMILESC=CC(O[Si](CC)(CC)CC)/C(C)=C/C(=O)OCC
InChIInChI=1S/C15H28O3Si/c1-7-14(13(6)12-15(16)17-8-2)18-19(9-3,10-4)11-5/h7,12,14H,1,8-11H2,2-6H3/b13-12+
InChIKeyUHRVJESXIDIAAY-OUKQBFOZSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
[(E)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 10774833
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate?
The IUPAC name of ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate (CID 134856539) is ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate.
What is the SMILES notation for ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate?
The canonical SMILES for ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate is C=CC(O[Si](CC)(CC)CC)/C(C)=C/C(=O)OCC.
What is the InChIKey of ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate?
The InChIKey is UHRVJESXIDIAAY-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-14(13(6)12-15(16)17-8-2)18-19(9-3,10-4)11-5/h7,12,14H,1,8-11H2,2-6H3/b13-12+.
What are the key properties of ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate?
ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate has a molecular weight of 284.47 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-3-methyl-4-triethylsilyloxyhexa-2,5-dienoate is sourced from PubChem (CID 134856539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).