tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane

C18H28O2Si — CID 168866865

IUPACtert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane
SMILESC#Cc1cc(C)c(OCCO[Si](C)(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H28O2Si/c1-9-16-12-14(2)17(15(3)13-16)19-10-11-20-21(7,8)18(4,5)6/h1,12-13H,10-11H2,2-8H3
InChIKeyQCUBSONWVWDPBC-UHFFFAOYSA-N
MW304.51 g/mol
LogP4.69
Rot. Bonds5

About tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane

tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane (PubChem CID 168866865) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane
PubChem CID168866865
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Nametert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane
SMILESC#Cc1cc(C)c(OCCO[Si](C)(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H28O2Si/c1-9-16-12-14(2)17(15(3)13-16)19-10-11-20-21(7,8)18(4,5)6/h1,12-13H,10-11H2,2-8H3
InChIKeyQCUBSONWVWDPBC-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane (CID 168866865) is tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane is C#Cc1cc(C)c(OCCO[Si](C)(C)C(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane?
The InChIKey is QCUBSONWVWDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-9-16-12-14(2)17(15(3)13-16)19-10-11-20-21(7,8)18(4,5)6/h1,12-13H,10-11H2,2-8H3.
What are the key properties of tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane?
tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane has a molecular weight of 304.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane is sourced from PubChem (CID 168866865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).