tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane

C15H28OSi — CID 101400086

IUPACtert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane
SMILESC#CC(C)(CO[Si](C)(C)C(C)(C)C)CC(=C)C
InChIInChI=1S/C15H28OSi/c1-10-15(7,11-13(2)3)12-16-17(8,9)14(4,5)6/h1H,2,11-12H2,3-9H3
InChIKeyBSNRVXJYAWGFPH-UHFFFAOYSA-N
MW252.47 g/mol
LogP4.61
Rot. Bonds5

About tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane

tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane (PubChem CID 101400086) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane
PubChem CID101400086
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane
SMILESC#CC(C)(CO[Si](C)(C)C(C)(C)C)CC(=C)C
InChIInChI=1S/C15H28OSi/c1-10-15(7,11-13(2)3)12-16-17(8,9)14(4,5)6/h1H,2,11-12H2,3-9H3
InChIKeyBSNRVXJYAWGFPH-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.61
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-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane
CID 101400084
tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane
CID 10563728
Tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane
CID 11000465
Tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane
CID 11108315
tert-Butyl(dimethyl)[(4-methylidenehex-5-yn-1-yl)oxy]silane
CID 71420228
Tert-butyl-(2-ethynyl-3,3-dimethylhex-5-enoxy)-dimethylsilane
CID 101717283
Tert-butyl-dimethyl-(6-methyl-5-methylidenehept-1-yn-3-yl)oxysilane
CID 102323745
Tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane
CID 102600478

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane (CID 101400086) is tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane is C#CC(C)(CO[Si](C)(C)C(C)(C)C)CC(=C)C.
What is the InChIKey of tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane?
The InChIKey is BSNRVXJYAWGFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-10-15(7,11-13(2)3)12-16-17(8,9)14(4,5)6/h1H,2,11-12H2,3-9H3.
What are the key properties of tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane?
tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane is sourced from PubChem (CID 101400086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).