tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane

C13H26OSi — CID 90955454

IUPACtert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane
SMILESC#C[C@@](C)(CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-9-11-13(6,10-2)14-15(7,8)12(3,4)5/h2H,9,11H2,1,3-8H3/t13-/m0/s1
InChIKeyLZMRNWZCORTICV-ZDUSSCGKSA-N
MW226.44 g/mol
LogP4.20
Rot. Bonds4

About tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane (PubChem CID 90955454) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane
PubChem CID90955454
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane
SMILESC#C[C@@](C)(CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-9-11-13(6,10-2)14-15(7,8)12(3,4)5/h2H,9,11H2,1,3-8H3/t13-/m0/s1
InChIKeyLZMRNWZCORTICV-ZDUSSCGKSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.20
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, (1,1-dimethylethyl)[(1,1-dimethyl-2-propynyl)oxy]dimethyl-
CID 11084826
Triethyl[(2-methylbut-3-yn-2-yl)oxy]silane
CID 12489715
Triethyl[(4-methyloct-1-YN-4-YL)oxy]silane
CID 13260212
Trimethyl[(3-methylpent-1-yn-3-yl)oxy]silane
CID 15581391
3-Ethylpent-1-yn-3-yloxy(trimethyl)silane
CID 85607996
[(3,5-Dimethylhex-1-yn-3-yl)oxy](trimethyl)silane
CID 22642351
Tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane
CID 155702338
tert-butyl-dimethyl-[(4S)-4-methyl-1-trimethylsilylocta-1,7-diyn-4-yl]oxysilane
CID 11623966
trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
CID 12893761
Tert-butyl-dimethyl-(4-methyloct-1-yn-4-yloxy)silane
CID 14248070
Trimethyl(4-methylhept-1-yn-4-yloxy)silane
CID 20355605

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane (CID 90955454) is tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane is C#C[C@@](C)(CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane?
The InChIKey is LZMRNWZCORTICV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26OSi/c1-9-11-13(6,10-2)14-15(7,8)12(3,4)5/h2H,9,11H2,1,3-8H3/t13-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane has a molecular weight of 226.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R)-3-methylhex-1-yn-3-yl]oxysilane is sourced from PubChem (CID 90955454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).