tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane

C18H34OSi — CID 134978254

IUPACtert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
SMILESCCCC#CC[C@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-7-8-9-10-13-16-14-11-12-15-17(16)19-20(5,6)18(2,3)4/h16-17H,7-8,11-15H2,1-6H3/t16-,17+/m0/s1
InChIKeyKLGQWYGBECFKQJ-DLBZAZTESA-N
MW294.56 g/mol
LogP5.76
Rot. Bonds4

About tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane (PubChem CID 134978254) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
PubChem CID134978254
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
SMILESCCCC#CC[C@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-7-8-9-10-13-16-14-11-12-15-17(16)19-20(5,6)18(2,3)4/h16-17H,7-8,11-15H2,1-6H3/t16-,17+/m0/s1
InChIKeyKLGQWYGBECFKQJ-DLBZAZTESA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.76
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

Cyclohexanol, 2-methyl, DMTBS
CID 529214
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)octyloxy-
CID 91740097
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
Silane, diethyl(cis-4-methylcyclohexyloxy)octadecyloxy-
CID 91745322
1-Cyclohexylethanol, tert-butyldimethylsilyl ether
CID 15402227
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
CID 11346596

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane (CID 134978254) is tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane is CCCC#CC[C@H]1CCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane?
The InChIKey is KLGQWYGBECFKQJ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H34OSi/c1-7-8-9-10-13-16-14-11-12-15-17(16)19-20(5,6)18(2,3)4/h16-17H,7-8,11-15H2,1-6H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 134978254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).