tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane

C16H30OSi — CID 134897780

IUPACtert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane
SMILESC#CCC(C)(C)C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-9-12-16(5,6)13-10-11-14-17-18(7,8)15(2,3)4/h1,10-11H,12-14H2,2-8H3/b11-10+
InChIKeyRNCZEOWQLUHYMP-ZHACJKMWSA-N
MW266.50 g/mol
LogP5.00
Rot. Bonds6

About tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane

tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane (PubChem CID 134897780) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane
PubChem CID134897780
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane
SMILESC#CCC(C)(C)C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-9-12-16(5,6)13-10-11-14-17-18(7,8)15(2,3)4/h1,10-11H,12-14H2,2-8H3/b11-10+
InChIKeyRNCZEOWQLUHYMP-ZHACJKMWSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane
CID 24755646
[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane
CID 101348557
tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866067
tert-butyl-[(2E)-3-iodo-5,5-dimethylocta-2,7-dienoxy]-dimethylsilane
CID 134890597
tert-butyl-[(E)-4,4-dimethylhex-2-en-5-ynoxy]-dimethylsilane
CID 164668907
tert-butyl-[(Z)-5,5-dimethylhex-2-enoxy]-dimethylsilane
CID 58534802
Tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810
triethyl-[(E,4R)-4-ethyl-2-methylhept-2-en-6-ynoxy]silane
CID 173609884
[(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane
CID 11408767
tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane
CID 11806718
[(4E)-5,9-dimethyldeca-4,8-dien-1-yn-3-yl]oxy-dimethyl-prop-2-enylsilane
CID 12111978
tert-butyl-dimethyl-[(E)-non-2-en-8-ynoxy]silane
CID 49818434

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane (CID 134897780) is tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane is C#CCC(C)(C)C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane?
The InChIKey is RNCZEOWQLUHYMP-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H30OSi/c1-9-12-16(5,6)13-10-11-14-17-18(7,8)15(2,3)4/h1,10-11H,12-14H2,2-8H3/b11-10+.
What are the key properties of tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane?
tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane is sourced from PubChem (CID 134897780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).