(1-bromo-2-phenylpropan-2-yl)-trimethoxysilane

C12H19BrO3Si — CID 174586767

IUPAC(1-bromo-2-phenylpropan-2-yl)-trimethoxysilane
SMILESCO[Si](OC)(OC)C(C)(CBr)c1ccccc1
InChIInChI=1S/C12H19BrO3Si/c1-12(10-13,11-8-6-5-7-9-11)17(14-2,15-3)16-4/h5-9H,10H2,1-4H3
InChIKeyMAZGWIUIQWJXPX-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.76
Rot. Bonds6

About (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane

(1-bromo-2-phenylpropan-2-yl)-trimethoxysilane (PubChem CID 174586767) has the molecular formula C12H19BrO3Si and a molecular weight of 319.27 g/mol. Its IUPAC name is (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane.

Molecular Properties

Compound Name(1-bromo-2-phenylpropan-2-yl)-trimethoxysilane
PubChem CID174586767
Molecular FormulaC12H19BrO3Si
Molecular Weight319.27 g/mol
Exact Mass318.03
IUPAC Name(1-bromo-2-phenylpropan-2-yl)-trimethoxysilane
SMILESCO[Si](OC)(OC)C(C)(CBr)c1ccccc1
InChIInChI=1S/C12H19BrO3Si/c1-12(10-13,11-8-6-5-7-9-11)17(14-2,15-3)16-4/h5-9H,10H2,1-4H3
InChIKeyMAZGWIUIQWJXPX-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane?
The IUPAC name of (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane (CID 174586767) is (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane.
What is the SMILES notation for (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane?
The canonical SMILES for (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane is CO[Si](OC)(OC)C(C)(CBr)c1ccccc1.
What is the InChIKey of (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane?
The InChIKey is MAZGWIUIQWJXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO3Si/c1-12(10-13,11-8-6-5-7-9-11)17(14-2,15-3)16-4/h5-9H,10H2,1-4H3.
What are the key properties of (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane?
(1-bromo-2-phenylpropan-2-yl)-trimethoxysilane has a molecular weight of 319.27 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-phenylpropan-2-yl)-trimethoxysilane is sourced from PubChem (CID 174586767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).