[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane

C16H25BrO2Si — CID 168964353

IUPAC[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C16H25BrO2Si/c1-16(2,3)20(4,5)19-15-10-14(11-15)18-13-8-6-12(17)7-9-13/h6-9,14-15H,10-11H2,1-5H3
InChIKeyNOKREPNIVLSGTO-UHFFFAOYSA-N
MW357.36 g/mol
LogP5.38
Rot. Bonds4

About [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane

[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane (PubChem CID 168964353) has the molecular formula C16H25BrO2Si and a molecular weight of 357.36 g/mol. Its IUPAC name is [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane
PubChem CID168964353
Molecular FormulaC16H25BrO2Si
Molecular Weight357.36 g/mol
Exact Mass356.08
IUPAC Name[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC(Oc2ccc(Br)cc2)C1
InChIInChI=1S/C16H25BrO2Si/c1-16(2,3)20(4,5)19-15-10-14(11-15)18-13-8-6-12(17)7-9-13/h6-9,14-15H,10-11H2,1-5H3
InChIKeyNOKREPNIVLSGTO-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.36
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67148861
[3-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]cyclobutyl]oxy-tert-butyl-dimethylsilane
CID 71272386
1-bromo-4-cyclopropyloxybenzene
CID 50998694
(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
CID 23377895
1-bromo-4-cyclopentyloxybenzene
CID 22599958
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
[(1R,2R,4R,5R)-5-(4-bromobenzoyl)oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexyl] 4-bromobenzoate
CID 139115330
[3-(4-bromophenyl)cyclobutyl]methoxy-tert-butyl-dimethylsilane
CID 155744450
3-(4-bromophenoxy)-1-methylazetidine
CID 84703186
[(1S)-3-bromocyclopent-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10880391
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane (CID 168964353) is [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC(Oc2ccc(Br)cc2)C1.
What is the InChIKey of [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is NOKREPNIVLSGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrO2Si/c1-16(2,3)20(4,5)19-15-10-14(11-15)18-13-8-6-12(17)7-9-13/h6-9,14-15H,10-11H2,1-5H3.
What are the key properties of [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane?
[3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 357.36 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenoxy)cyclobutyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 168964353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).