[4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane

C16H29BrOSi — CID 66891629

IUPAC[4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane
SMILESCCC1(C(C#CCBr)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C16H29BrOSi/c1-7-16(11-9-12-16)14(10-8-13-17)18-19(5,6)15(2,3)4/h14H,7,9,11-13H2,1-6H3
InChIKeyFYCUZOAXKQRATR-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.36
Rot. Bonds4

About [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane

[4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane (PubChem CID 66891629) has the molecular formula C16H29BrOSi and a molecular weight of 345.40 g/mol. Its IUPAC name is [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane
PubChem CID66891629
Molecular FormulaC16H29BrOSi
Molecular Weight345.40 g/mol
Exact Mass344.12
IUPAC Name[4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane
SMILESCCC1(C(C#CCBr)O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C16H29BrOSi/c1-7-16(11-9-12-16)14(10-8-13-17)18-19(5,6)15(2,3)4/h14H,7,9,11-13H2,1-6H3
InChIKeyFYCUZOAXKQRATR-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-Butyldimethyl-[1-(1-propylcyclobutyl)but-3-ynyloxy]silane
CID 15475299
[4-Bromo-1-[1-(cyclopropylmethyl)cyclobutyl]but-2-ynoxy]-tert-butyl-dimethylsilane
CID 66890979
Tert-butyl-[1-(1-ethylcyclobutyl)but-2-ynoxy]-dimethylsilane
CID 69834616
Tert-butyl {[1-(1-ethylcyclobutyl)prop-2-ynyl]oxy}dimethylsilane
CID 85825701
(1-Bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
CID 87193220
tert-butyl-dimethyl-[(1S)-1-(1-propylcyclobutyl)but-3-ynoxy]silane
CID 88010266
Bromomethyl-(5,5-dimethylocta-1,7-diyn-3-yloxy)-dimethylsilane
CID 10709415
Bromomethyl-dimethyl-(2,2,7,7-tetramethyldeca-3,9-diyn-5-yloxy)silane
CID 10713336

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane (CID 66891629) is [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane is CCC1(C(C#CCBr)O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane?
The InChIKey is FYCUZOAXKQRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BrOSi/c1-7-16(11-9-12-16)14(10-8-13-17)18-19(5,6)15(2,3)4/h14H,7,9,11-13H2,1-6H3.
What are the key properties of [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane?
[4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane has a molecular weight of 345.40 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(1-ethylcyclobutyl)but-2-ynoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 66891629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).