tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate

C17H34O3Si — CID 23240798

IUPACtert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate
SMILESC/C(=C\CCC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-14(13-19-21(8,9)17(5,6)7)11-10-12-15(18)20-16(2,3)4/h11H,10,12-13H2,1-9H3/b14-11+
InChIKeyBGKUBHWZXIRUJE-SDNWHVSQSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds6

About tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate

tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate (PubChem CID 23240798) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate.

Molecular Properties

Compound Nametert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate
PubChem CID23240798
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nametert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate
SMILESC/C(=C\CCC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-14(13-19-21(8,9)17(5,6)7)11-10-12-15(18)20-16(2,3)4/h11H,10,12-13H2,1-9H3/b14-11+
InChIKeyBGKUBHWZXIRUJE-SDNWHVSQSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
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'}

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Related Compounds

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
ethyl (4E)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-4,6-dienoate
CID 134918433
[(Z)-6-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylhex-4-en-2-yl] acetate
CID 134947536
tert-butyl (E)-3-methyl-5-triethoxysilylpent-3-enoate
CID 154720228
3,7-Dimethylocta-2,6-dienyl 5-[dimethyl(trimethylsilyloxy)silyl]pentanoate
CID 53673306
1-Acetoxy-8-(dimethyl t-butylsilyl)oxy-3,7-dimethyl-2,6-octadiene
CID 53978650
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 57202624
[7-[Tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 72462459
[(2E)-3,7-dimethylocta-2,6-dienyl] 5-[dimethyl(trimethylsilyloxy)silyl]pentanoate
CID 88228723
methyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enoate
CID 89400017
2-trimethylsilylethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 90362172

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate?
The IUPAC name of tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate (CID 23240798) is tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate.
What is the SMILES notation for tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate?
The canonical SMILES for tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate is C/C(=C\CCC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate?
The InChIKey is BGKUBHWZXIRUJE-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-14(13-19-21(8,9)17(5,6)7)11-10-12-15(18)20-16(2,3)4/h11H,10,12-13H2,1-9H3/b14-11+.
What are the key properties of tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate?
tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enoate is sourced from PubChem (CID 23240798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).