tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane

C20H26O2Si — CID 10336521

IUPACtert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane
SMILESC#Cc1ccccc1C(C#CCO[Si](C)(C)C(C)(C)C)OC=C
InChIInChI=1S/C20H26O2Si/c1-8-17-13-10-11-14-18(17)19(21-9-2)15-12-16-22-23(6,7)20(3,4)5/h1,9-11,13-14,19H,2,16H2,3-7H3
InChIKeyUCSALLZIHDRPKR-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.89
Rot. Bonds5

About tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane

tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane (PubChem CID 10336521) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane
PubChem CID10336521
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Nametert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane
SMILESC#Cc1ccccc1C(C#CCO[Si](C)(C)C(C)(C)C)OC=C
InChIInChI=1S/C20H26O2Si/c1-8-17-13-10-11-14-18(17)19(21-9-2)15-12-16-22-23(6,7)20(3,4)5/h1,9-11,13-14,19H,2,16H2,3-7H3
InChIKeyUCSALLZIHDRPKR-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane (CID 10336521) is tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane is C#Cc1ccccc1C(C#CCO[Si](C)(C)C(C)(C)C)OC=C.
What is the InChIKey of tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane?
The InChIKey is UCSALLZIHDRPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-8-17-13-10-11-14-18(17)19(21-9-2)15-12-16-22-23(6,7)20(3,4)5/h1,9-11,13-14,19H,2,16H2,3-7H3.
What are the key properties of tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane?
tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane has a molecular weight of 326.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-ethenoxy-4-(2-ethynylphenyl)but-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 10336521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).