3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane

C15H20BrClOSi — CID 155571683

IUPAC3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#Cc1ccc(Cl)cc1Br
InChIInChI=1S/C15H20BrClOSi/c1-15(2,3)19(4,5)18-10-6-7-12-8-9-13(17)11-14(12)16/h8-9,11H,10H2,1-5H3
InChIKeyHMJXVEGMFWCFTO-UHFFFAOYSA-N
MW359.77 g/mol
LogP5.48
Rot. Bonds2

About 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane

3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane (PubChem CID 155571683) has the molecular formula C15H20BrClOSi and a molecular weight of 359.77 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane
PubChem CID155571683
Molecular FormulaC15H20BrClOSi
Molecular Weight359.77 g/mol
Exact Mass358.02
IUPAC Name3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#Cc1ccc(Cl)cc1Br
InChIInChI=1S/C15H20BrClOSi/c1-15(2,3)19(4,5)18-10-6-7-12-8-9-13(17)11-14(12)16/h8-9,11H,10H2,1-5H3
InChIKeyHMJXVEGMFWCFTO-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.77
LogP ≤ 55.48
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

3-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-5-chloropyridine-2-carbaldehyde
CID 140769636
2-bromo-1-(4-bromobut-1-ynyl)-4-chlorobenzene
CID 170467139
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-chloropyridine-3-carboxylate
CID 151760274
tert-butyl-[(2,4-dichlorophenyl)methoxy]-dimethylsilane
CID 91737025
4-[tert-butyl(dimethyl)silyl]oxy-1-(2-chloro-4-fluorophenyl)but-2-yn-1-one
CID 69154380
(2-bromo-4-chlorophenyl)methyl-tert-butyl-methoxy-methylsilane
CID 175076642
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
CID 14320967
lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane
CID 153432530
2-bromo-3-[2-(2-bromo-4-chlorophenyl)ethynyl]naphthalene
CID 164518667
tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane
CID 167433936
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyridine-2-carboxylate
CID 69356303

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane (CID 155571683) is 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC#Cc1ccc(Cl)cc1Br.
What is the InChIKey of 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane?
The InChIKey is HMJXVEGMFWCFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClOSi/c1-15(2,3)19(4,5)18-10-6-7-12-8-9-13(17)11-14(12)16/h8-9,11H,10H2,1-5H3.
What are the key properties of 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane?
3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane has a molecular weight of 359.77 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 155571683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).