tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane

C23H32OSi2 — CID 101415329

IUPACtert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C#Cc2ccc([Si](C)(C)C)cc2)c1
InChIInChI=1S/C23H32OSi2/c1-23(2,3)26(7,8)24-21-11-9-10-20(18-21)13-12-19-14-16-22(17-15-19)25(4,5)6/h9-11,14-18H,1-8H3
InChIKeyJKCWGVYMPHCZQE-UHFFFAOYSA-N
MW380.68 g/mol
LogP6.02
Rot. Bonds3

About tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane

tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane (PubChem CID 101415329) has the molecular formula C23H32OSi2 and a molecular weight of 380.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane
PubChem CID101415329
Molecular FormulaC23H32OSi2
Molecular Weight380.68 g/mol
Exact Mass380.20
IUPAC Nametert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C#Cc2ccc([Si](C)(C)C)cc2)c1
InChIInChI=1S/C23H32OSi2/c1-23(2,3)26(7,8)24-21-11-9-10-20(18-21)13-12-19-14-16-22(17-15-19)25(4,5)6/h9-11,14-18H,1-8H3
InChIKeyJKCWGVYMPHCZQE-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.68
LogP ≤ 56.02
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-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl-[4-[2-(3,4-dimethylphenyl)ethynyl]phenoxy]-dimethylsilane
CID 102148278
tert-butyl-[3-[2-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)ethynyl]phenoxy]-dimethylsilane
CID 100968648
tert-butyl-(3-iodophenoxy)-dimethylsilane
CID 2757280
tert-butyl-[4-[2-(9H-fluoren-2-yl)ethynyl]phenoxy]-dimethylsilane
CID 101439155
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4,5-bis[2-(4-methoxyphenyl)ethynyl]phenoxy]-dimethylsilane
CID 101475074
tert-butyl-[3-[2-(5-tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)ethynyl]phenoxy]-dimethylsilane
CID 100968651
trimethyl-[3-(2-phenylethynyl)phenyl]silane
CID 66902044
4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylbut-3-yn-2-ol
CID 139670556
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane
CID 140678448
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
CID 23439965

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane (CID 101415329) is tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane is CC(C)(C)[Si](C)(C)Oc1cccc(C#Cc2ccc([Si](C)(C)C)cc2)c1.
What is the InChIKey of tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane?
The InChIKey is JKCWGVYMPHCZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OSi2/c1-23(2,3)26(7,8)24-21-11-9-10-20(18-21)13-12-19-14-16-22(17-15-19)25(4,5)6/h9-11,14-18H,1-8H3.
What are the key properties of tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane?
tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane has a molecular weight of 380.68 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[2-(4-trimethylsilylphenyl)ethynyl]phenoxy]silane is sourced from PubChem (CID 101415329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).