tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane

C16H28OSi — CID 135084370

IUPACtert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane
SMILESC#CC1=C(CCO[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C16H28OSi/c1-7-14-10-8-9-11-15(14)12-13-17-18(5,6)16(2,3)4/h1H,8-13H2,2-6H3
InChIKeyZRVFNKLYZTUXGU-UHFFFAOYSA-N
MW264.48 g/mol
LogP4.90
Rot. Bonds4

About tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane (PubChem CID 135084370) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane
PubChem CID135084370
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Nametert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane
SMILESC#CC1=C(CCO[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C16H28OSi/c1-7-14-10-8-9-11-15(14)12-13-17-18(5,6)16(2,3)4/h1H,8-13H2,2-6H3
InChIKeyZRVFNKLYZTUXGU-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.90
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

1-(Cyclohexen-1-yl)but-3-ynoxy-triethylsilane
CID 135023459
Tert-butyl-[(2-ethynylcyclohexen-1-yl)methoxy]-dimethylsilane
CID 135038254
Tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane
CID 135086903
tert-butyl-[(1R)-3-ethynyl-4-methyl-6-methylidenecyclohex-3-en-1-yl]oxy-dimethylsilane
CID 89597294
tert-Butyl(dimethyl)[(4-methylidenenon-8-yn-1-yl)oxy]silane
CID 71427894
Tert-butyl-(2-hex-5-ynylcyclohexen-1-yl)oxy-dimethylsilane
CID 102454837

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane (CID 135084370) is tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane is C#CC1=C(CCO[Si](C)(C)C(C)(C)C)CCCC1.
What is the InChIKey of tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane?
The InChIKey is ZRVFNKLYZTUXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-7-14-10-8-9-11-15(14)12-13-17-18(5,6)16(2,3)4/h1H,8-13H2,2-6H3.
What are the key properties of tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane has a molecular weight of 264.48 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 135084370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).