[3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane

C15H23BrOSi — CID 173251143

IUPAC[3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane
SMILESC[SiH](C)OC(=CCBr)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23BrOSi/c1-15(2,3)13-8-6-12(7-9-13)14(10-11-16)17-18(4)5/h6-10,18H,11H2,1-5H3
InChIKeyXJUDMBXENWADNQ-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.72
Rot. Bonds4

About [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane

[3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane (PubChem CID 173251143) has the molecular formula C15H23BrOSi and a molecular weight of 327.34 g/mol. Its IUPAC name is [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane.

Molecular Properties

Compound Name[3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane
PubChem CID173251143
Molecular FormulaC15H23BrOSi
Molecular Weight327.34 g/mol
Exact Mass326.07
IUPAC Name[3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane
SMILESC[SiH](C)OC(=CCBr)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23BrOSi/c1-15(2,3)13-8-6-12(7-9-13)14(10-11-16)17-18(4)5/h6-10,18H,11H2,1-5H3
InChIKeyXJUDMBXENWADNQ-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane
CID 173315216
6-[(E)-3-bromo-1-(4-tert-butylphenyl)prop-1-enyl]-3-chloro-2-methoxypyridine
CID 58452814
(Z)-3-(4-tert-butylphenyl)but-2-en-1-ol
CID 176916029
1-(4-bromo-3-methylbut-2-en-2-yl)-4-tert-butylbenzene
CID 57144020
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
1-[(Z)-2-bromo-1-fluoroethenyl]-4-tert-butylbenzene
CID 125477226
(Z)-3-(4-tert-butylphenyl)pent-2-enenitrile
CID 144776711

Frequently Asked Questions

What is the IUPAC name of [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane?
The IUPAC name of [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane (CID 173251143) is [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane.
What is the SMILES notation for [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane?
The canonical SMILES for [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane is C[SiH](C)OC(=CCBr)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane?
The InChIKey is XJUDMBXENWADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrOSi/c1-15(2,3)13-8-6-12(7-9-13)14(10-11-16)17-18(4)5/h6-10,18H,11H2,1-5H3.
What are the key properties of [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane?
[3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane has a molecular weight of 327.34 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-1-(4-tert-butylphenyl)prop-1-enoxy]-dimethylsilane is sourced from PubChem (CID 173251143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).