3-bromopropoxy-tert-butyl-diphenylsilane

C19H25BrOSi — CID 11245865

IUPAC3-bromopropoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25BrOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3
InChIKeyXEJWSBVHJKWEKC-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.35
Rot. Bonds6

About 3-bromopropoxy-tert-butyl-diphenylsilane

3-bromopropoxy-tert-butyl-diphenylsilane (PubChem CID 11245865) has the molecular formula C19H25BrOSi and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-bromopropoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name3-bromopropoxy-tert-butyl-diphenylsilane
PubChem CID11245865
Molecular FormulaC19H25BrOSi
Molecular Weight377.40 g/mol
Exact Mass376.09
IUPAC Name3-bromopropoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25BrOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3
InChIKeyXEJWSBVHJKWEKC-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromopropoxy-tert-butyl-diphenylsilane 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

8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
CID 154420849
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 53423592
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292

Frequently Asked Questions

What is the IUPAC name of 3-bromopropoxy-tert-butyl-diphenylsilane?
The IUPAC name of 3-bromopropoxy-tert-butyl-diphenylsilane (CID 11245865) is 3-bromopropoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 3-bromopropoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 3-bromopropoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCCBr)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromopropoxy-tert-butyl-diphenylsilane?
The InChIKey is XEJWSBVHJKWEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3.
What are the key properties of 3-bromopropoxy-tert-butyl-diphenylsilane?
3-bromopropoxy-tert-butyl-diphenylsilane has a molecular weight of 377.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11245865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).