tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane

C18H32OSi — CID 102454837

IUPACtert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane
SMILESC#CCCCCC1=C(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C18H32OSi/c1-7-8-9-10-13-16-14-11-12-15-17(16)19-20(5,6)18(2,3)4/h1H,8-15H2,2-6H3
InChIKeyUNBYMKVTIPSWTR-UHFFFAOYSA-N
MW292.54 g/mol
LogP6.03
Rot. Bonds6

About tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane

tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane (PubChem CID 102454837) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane
PubChem CID102454837
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane
SMILESC#CCCCCC1=C(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C18H32OSi/c1-7-8-9-10-13-16-14-11-12-15-17(16)19-20(5,6)18(2,3)4/h1H,8-15H2,2-6H3
InChIKeyUNBYMKVTIPSWTR-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(((1,1-Dimethylethyl)dimethylsilyl)oxy)-2-methylcyclohexene
CID 11322116
Silane, [(2-methyl-1-cyclohexen-1-yl)oxy]tris(1-methylethyl)-
CID 11076456
[(2-Ethylcyclohex-1-en-1-yl)oxy](trimethyl)silane
CID 13217777
Trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635035
Tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane
CID 135084370
Triethyl-(2-methylcyclohexen-1-yl)oxysilane
CID 10977202
Trimethyl(2-propylcyclohex-1-enyloxy)silane
CID 15852795
CID 87587512
CID 87587512
(2-Butylcycloundecen-1-yl)oxy-dimethylsilane
CID 173114306
(2-Butylcyclododecen-1-yl)oxy-dimethylsilane
CID 173114393
Trimethyl-(2-pent-4-ynylcyclopenten-1-yl)oxysilane
CID 10922125
Trimethyl-(2-nonylcyclopenten-1-yl)oxysilane
CID 11055140

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane (CID 102454837) is tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane is C#CCCCCC1=C(O[Si](C)(C)C(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane?
The InChIKey is UNBYMKVTIPSWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-7-8-9-10-13-16-14-11-12-15-17(16)19-20(5,6)18(2,3)4/h1H,8-15H2,2-6H3.
What are the key properties of tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane?
tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 102454837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).