[(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane

C11H23BrOSi — CID 15268628

IUPAC[(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23BrOSi/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h10H,1,8H2,2-7H3/t10-/m1/s1
InChIKeySAVMBTBYIBDXOG-SNVBAGLBSA-N
MW279.29 g/mol
LogP4.35
Rot. Bonds4

About [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane

[(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 15268628) has the molecular formula C11H23BrOSi and a molecular weight of 279.29 g/mol. Its IUPAC name is [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID15268628
Molecular FormulaC11H23BrOSi
Molecular Weight279.29 g/mol
Exact Mass278.07
IUPAC Name[(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H23BrOSi/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h10H,1,8H2,2-7H3/t10-/m1/s1
InChIKeySAVMBTBYIBDXOG-SNVBAGLBSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2R)-3-(bromomethyl)but-3-en-2-yl]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

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 15268628) is [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane is C=C(CBr)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SAVMBTBYIBDXOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23BrOSi/c1-9(8-12)10(2)13-14(6,7)11(3,4)5/h10H,1,8H2,2-7H3/t10-/m1/s1.
What are the key properties of [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
[(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 279.29 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(bromomethyl)but-3-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15268628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).