tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane

C16H30OSi — CID 19042200

IUPACtert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane
SMILESC#CC(CC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-7-15(13-14-11-9-8-10-12-14)17-18(5,6)16(2,3)4/h1,14-15H,8-13H2,2-6H3
InChIKeyYYBRSFNTOQITLH-UHFFFAOYSA-N
MW266.50 g/mol
LogP4.98
Rot. Bonds4

About tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane

tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane (PubChem CID 19042200) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane
PubChem CID19042200
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane
SMILESC#CC(CC1CCCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-7-15(13-14-11-9-8-10-12-14)17-18(5,6)16(2,3)4/h1,14-15H,8-13H2,2-6H3
InChIKeyYYBRSFNTOQITLH-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
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

alpha-(3-(Trimethylsilyl)-2-propyn-1-yl)cyclohexanemethanol
CID 10867955
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
(1R)-1-cyclohexyl-3-triethylsilylprop-2-yn-1-ol
CID 10125283
(1S)-1-cyclohexyl-3-trimethylsilylprop-2-yn-1-ol
CID 10536456
alpha-[2-(Trimethylsilyl)ethynyl]cyclohexanemethanol
CID 14026558
Silane, diethyl(cis-4-methylcyclohexyloxy)octyloxy-
CID 91741580
Silane, diethyl(cis-4-methylcyclohexyloxy)nonyloxy-
CID 91742122
Silane, diethyl(cis-4-methylcyclohexyloxy)decyloxy-
CID 91742698
Silane, diethyl(trans-4-methylcyclohexyloxy)undecyloxy-
CID 91743263
Silane, diethyl(cis-4-methylcyclohexyloxy)pentadecyloxy-
CID 91744676
Silane, diethyl(cis-4-methylcyclohexyloxy)hexadecyloxy-
CID 91744959
Silane, diethyl(cis-4-methylcyclohexyloxy)heptadecyloxy-
CID 91745149

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane (CID 19042200) is tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane is C#CC(CC1CCCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane?
The InChIKey is YYBRSFNTOQITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-7-15(13-14-11-9-8-10-12-14)17-18(5,6)16(2,3)4/h1,14-15H,8-13H2,2-6H3.
What are the key properties of tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane?
tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-cyclohexylbut-3-yn-2-yloxy)-dimethylsilane is sourced from PubChem (CID 19042200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).