(3-bromo-2-methylpropyl)-dimethoxy-phenylsilane

C12H19BrO2Si — CID 54198141

IUPAC(3-bromo-2-methylpropyl)-dimethoxy-phenylsilane
SMILESCO[Si](CC(C)CBr)(OC)c1ccccc1
InChIInChI=1S/C12H19BrO2Si/c1-11(9-13)10-16(14-2,15-3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyPNHXKSYQCWSCQJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.66
Rot. Bonds6

About (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane

(3-bromo-2-methylpropyl)-dimethoxy-phenylsilane (PubChem CID 54198141) has the molecular formula C12H19BrO2Si and a molecular weight of 303.27 g/mol. Its IUPAC name is (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane.

Molecular Properties

Compound Name(3-bromo-2-methylpropyl)-dimethoxy-phenylsilane
PubChem CID54198141
Molecular FormulaC12H19BrO2Si
Molecular Weight303.27 g/mol
Exact Mass302.03
IUPAC Name(3-bromo-2-methylpropyl)-dimethoxy-phenylsilane
SMILESCO[Si](CC(C)CBr)(OC)c1ccccc1
InChIInChI=1S/C12H19BrO2Si/c1-11(9-13)10-16(14-2,15-3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyPNHXKSYQCWSCQJ-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane 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

bromomethyl-dimethoxy-phenylsilane
CID 66970118
[5-[dimethoxy(phenyl)silyl]-3,3-bis[2-[dimethoxy(phenyl)silyl]ethyl]pentyl]-dimethoxy-phenylsilane
CID 69429750
dimethoxy-phenyl-(2-trimethylsilylethyl)silane
CID 59357473
[6-[dimethoxy(phenyl)silyl]-4-[2-[dimethoxy(phenyl)silyl]propyl]heptan-2-yl]-dimethoxy-phenylsilane
CID 69434547
butyl-dimethoxy-phenylsilane
CID 66773516
dimethoxy-(2-methylpropoxy)-phenylsilane
CID 66857887
bromo-methoxy-methyl-phenylsilane
CID 140744784
trimethoxy(phenyl)silane;hydrochloride
CID 140901295
chloromethyl-phenyl-di(propan-2-yloxy)silane
CID 13392408
butan-2-yl-methoxy-methyl-triphenylsilylsilane
CID 58833873
[11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane
CID 87833172
chloromethyl-methoxy-diphenylsilane
CID 66969961

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane?
The IUPAC name of (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane (CID 54198141) is (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane.
What is the SMILES notation for (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane?
The canonical SMILES for (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane is CO[Si](CC(C)CBr)(OC)c1ccccc1.
What is the InChIKey of (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane?
The InChIKey is PNHXKSYQCWSCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO2Si/c1-11(9-13)10-16(14-2,15-3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane?
(3-bromo-2-methylpropyl)-dimethoxy-phenylsilane has a molecular weight of 303.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylpropyl)-dimethoxy-phenylsilane is sourced from PubChem (CID 54198141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).