ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate

C16H30O3Si — CID 134918433

IUPACethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate
SMILESC=C(/C=C/CCC(=O)OCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-8-18-15(17)12-10-9-11-14(2)13-19-20(6,7)16(3,4)5/h9,11H,2,8,10,12-13H2,1,3-7H3/b11-9+
InChIKeyVISKLJQFACTWAX-PKNBQFBNSA-N
MW298.50 g/mol
LogP4.46
Rot. Bonds8

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

ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate (PubChem CID 134918433) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate.

Molecular Properties

Compound Nameethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate
PubChem CID134918433
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate
SMILESC=C(/C=C/CCC(=O)OCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-8-18-15(17)12-10-9-11-14(2)13-19-20(6,7)16(3,4)5/h9,11H,2,8,10,12-13H2,1,3-7H3/b11-9+
InChIKeyVISKLJQFACTWAX-PKNBQFBNSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
CID 102216395
[(E)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
CID 134980553
ethyl (4E,6Z,10S)-10-[tert-butyl(dimethyl)silyl]oxyundeca-4,6-dienoate
CID 134980795
[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate
CID 134982109
(2-{[(t-Butyldimethylsilyl)oxy]methyl}cyclopenta-1,4-dien-1-yl)methyl acetate
CID 146019798
(2-{[(t-Butyldimethylsilyl)oxy]-methyl}cyclopenta-1,3-dien-1-yl)methyl acetate
CID 146019799
tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate
CID 23240798
Methyl 2-(2-trimethylsilylcyclopenta-1,4-dien-1-yl)acetate
CID 53796833
Methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 54374029
methyl (Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 88436550
Methyl 2-(5-trimethylsilylcyclopenta-1,4-dien-1-yl)acetate
CID 91203466
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-4-enoate
CID 140693491

Frequently Asked Questions

What is the IUPAC name of ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate?
The IUPAC name of ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate (CID 134918433) is ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate.
What is the SMILES notation for ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate?
The canonical SMILES for ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate is C=C(/C=C/CCC(=O)OCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate?
The InChIKey is VISKLJQFACTWAX-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-8-18-15(17)12-10-9-11-14(2)13-19-20(6,7)16(3,4)5/h9,11H,2,8,10,12-13H2,1,3-7H3/b11-9+.
What are the key properties of ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate?
ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate has a molecular weight of 298.50 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate is sourced from PubChem (CID 134918433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).