[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane

C16H17BrOSi — CID 134942155

IUPAC[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)[C@H]1O[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H17BrOSi/c1-19(2,14-6-4-3-5-7-14)16-15(18-16)12-8-10-13(17)11-9-12/h3-11,15-16H,1-2H3/t15-,16+/m0/s1
InChIKeyYIBIAQPMWTVCQZ-JKSUJKDBSA-N
MW333.30 g/mol
LogP4.04
Rot. Bonds3

About [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane

[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane (PubChem CID 134942155) has the molecular formula C16H17BrOSi and a molecular weight of 333.30 g/mol. Its IUPAC name is [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane
PubChem CID134942155
Molecular FormulaC16H17BrOSi
Molecular Weight333.30 g/mol
Exact Mass332.02
IUPAC Name[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)[C@H]1O[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H17BrOSi/c1-19(2,14-6-4-3-5-7-14)16-15(18-16)12-8-10-13(17)11-9-12/h3-11,15-16H,1-2H3/t15-,16+/m0/s1
InChIKeyYIBIAQPMWTVCQZ-JKSUJKDBSA-N
XLogP4.04
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane (CID 134942155) is [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)[C@H]1O[C@H]1c1ccc(Br)cc1.
What is the InChIKey of [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane?
The InChIKey is YIBIAQPMWTVCQZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H17BrOSi/c1-19(2,14-6-4-3-5-7-14)16-15(18-16)12-8-10-13(17)11-9-12/h3-11,15-16H,1-2H3/t15-,16+/m0/s1.
What are the key properties of [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane?
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane has a molecular weight of 333.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 134942155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).