ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate

C20H39NO4Si — CID 11132814

IUPACethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate
SMILESCCOC(=O)C(C)(/C=C/C/C(C)=C\CO[Si](C)(C)C(C)(C)C)ON(C)C
InChIInChI=1S/C20H39NO4Si/c1-11-23-18(22)20(6,25-21(7)8)15-12-13-17(2)14-16-24-26(9,10)19(3,4)5/h12,14-15H,11,13,16H2,1-10H3/b15-12+,17-14-
InChIKeyFEUUTALQVBNOSC-ADGNBSQLSA-N
MW385.62 g/mol
LogP4.72
Rot. Bonds10

About ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate

ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate (PubChem CID 11132814) has the molecular formula C20H39NO4Si and a molecular weight of 385.62 g/mol. Its IUPAC name is ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate.

Molecular Properties

Compound Nameethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate
PubChem CID11132814
Molecular FormulaC20H39NO4Si
Molecular Weight385.62 g/mol
Exact Mass385.26
IUPAC Nameethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate
SMILESCCOC(=O)C(C)(/C=C/C/C(C)=C\CO[Si](C)(C)C(C)(C)C)ON(C)C
InChIInChI=1S/C20H39NO4Si/c1-11-23-18(22)20(6,25-21(7)8)15-12-13-17(2)14-16-24-26(9,10)19(3,4)5/h12,14-15H,11,13,16H2,1-10H3/b15-12+,17-14-
InChIKeyFEUUTALQVBNOSC-ADGNBSQLSA-N
XLogP4.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.62
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate with MolForge

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Related Compounds

ethyl (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-4-(dimethylamino)-2,6-dimethylocta-2,6-dienoate
CID 11111423
(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
CID 135080098
(7-hydroperoxy-3,7-dimethylocta-2,5-dienyl) acetate
CID 162873197
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-3-en-2-yl] acetate
CID 11054827
tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71342470
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
tert-butyl-dimethyl-[(Z)-2-methylhex-2-enoxy]silane
CID 89381539
ethyl (E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10826090
ethyl (E)-4-[(1R,2S,3R)-2-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-3-prop-1-en-2-ylcyclopentyl]-2-methylbut-2-enoate
CID 10874244

Frequently Asked Questions

What is the IUPAC name of ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate?
The IUPAC name of ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate (CID 11132814) is ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate.
What is the SMILES notation for ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate?
The canonical SMILES for ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate is CCOC(=O)C(C)(/C=C/C/C(C)=C\CO[Si](C)(C)C(C)(C)C)ON(C)C.
What is the InChIKey of ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate?
The InChIKey is FEUUTALQVBNOSC-ADGNBSQLSA-N. The full InChI is InChI=1S/C20H39NO4Si/c1-11-23-18(22)20(6,25-21(7)8)15-12-13-17(2)14-16-24-26(9,10)19(3,4)5/h12,14-15H,11,13,16H2,1-10H3/b15-12+,17-14-.
What are the key properties of ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate?
ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate has a molecular weight of 385.62 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E,6Z)-8-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminooxy)-2,6-dimethylocta-3,6-dienoate is sourced from PubChem (CID 11132814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).