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

C17H30OSi — CID 135086903

IUPACtert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane
SMILESC#CC1=C(CCO[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C17H30OSi/c1-7-15-11-9-8-10-12-16(15)13-14-18-19(5,6)17(2,3)4/h1H,8-14H2,2-6H3
InChIKeyXLSWXJVXFBAEOZ-UHFFFAOYSA-N
MW278.51 g/mol
LogP5.29
Rot. Bonds4

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

tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane (PubChem CID 135086903) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane
PubChem CID135086903
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane
SMILESC#CC1=C(CCO[Si](C)(C)C(C)(C)C)CCCCC1
InChIInChI=1S/C17H30OSi/c1-7-15-11-9-8-10-12-16(15)13-14-18-19(5,6)17(2,3)4/h1H,8-14H2,2-6H3
InChIKeyXLSWXJVXFBAEOZ-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.29
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

Tert-butyl-[(2-ethynylcyclohexen-1-yl)methoxy]-dimethylsilane
CID 135038254
Tert-butyl-[2-(2-ethynylcyclohexen-1-yl)ethoxy]-dimethylsilane
CID 135084370
tert-Butyl(dimethyl)[(4-methylidenenon-8-yn-1-yl)oxy]silane
CID 71427894

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane (CID 135086903) is tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane is C#CC1=C(CCO[Si](C)(C)C(C)(C)C)CCCCC1.
What is the InChIKey of tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane?
The InChIKey is XLSWXJVXFBAEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-7-15-11-9-8-10-12-16(15)13-14-18-19(5,6)17(2,3)4/h1H,8-14H2,2-6H3.
What are the key properties of tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(2-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.29, 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-ethynylcyclohepten-1-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 135086903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).