tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane

C15H30OSi — CID 14248070

IUPACtert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane
SMILESC#CCC(C)(CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-9-11-13-15(6,12-10-2)16-17(7,8)14(3,4)5/h2H,9,11-13H2,1,3-8H3
InChIKeyVSQSBAVUXDQVLC-UHFFFAOYSA-N
MW254.49 g/mol
LogP4.98
Rot. Bonds6

About tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane

tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane (PubChem CID 14248070) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane
PubChem CID14248070
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane
SMILESC#CCC(C)(CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-9-11-13-15(6,12-10-2)16-17(7,8)14(3,4)5/h2H,9,11-13H2,1,3-8H3
InChIKeyVSQSBAVUXDQVLC-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl[[1-methyl-1-(2-propynyl)pentyl]oxy]-
CID 10856810
Silane, [(1-ethynylcyclohexyl)oxy]trimethyl-
CID 552482
Silane, trimethyl[[1-[(trimethylsilyl)ethynyl]cyclohexyl]oxy]-
CID 553519
Triethyl[(1-ethynylcyclohexyl)oxy]silane
CID 12489717
Triethyl[(4-methyloct-1-YN-4-YL)oxy]silane
CID 13260212
[(1-Ethynylcyclopentyl)oxy](trimethyl)silane
CID 15396659
(1-Dimethylalumanyl-4-methyloct-1-yn-4-yl)oxy-triethylsilane
CID 134877637
4-Difluoromethyl-4-trimethylsiloxy-1-octyne
CID 21764786
4-Trifluoromethyl-4-trimethylsiloxy-1-octyne
CID 21764788
4-Fluoromethyl-4-trimethylsilyloxy-1-octyne
CID 21764790
(1-Dimethylalumanyl-5-methylnon-1-yn-5-yl)oxy-triethylsilane
CID 86051486
1-Lithio-4-methyl-4-trimethyl-silyloxyoct-1-yne
CID 129757330

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane (CID 14248070) is tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane is C#CCC(C)(CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane?
The InChIKey is VSQSBAVUXDQVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OSi/c1-9-11-13-15(6,12-10-2)16-17(7,8)14(3,4)5/h2H,9,11-13H2,1,3-8H3.
What are the key properties of tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane?
tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane has a molecular weight of 254.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane is sourced from PubChem (CID 14248070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).