[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane

C11H15BrOSi — CID 59609126

IUPAC[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1O[C@H]1c1cccc(Br)c1
InChIInChI=1S/C11H15BrOSi/c1-14(2,3)11-10(13-11)8-5-4-6-9(12)7-8/h4-7,10-11H,1-3H3/t10-,11+/m0/s1
InChIKeySXYNCDVAIBVVFW-WDEREUQCSA-N
MW271.23 g/mol
LogP3.77
Rot. Bonds2

About [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane

[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane (PubChem CID 59609126) has the molecular formula C11H15BrOSi and a molecular weight of 271.23 g/mol. Its IUPAC name is [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane
PubChem CID59609126
Molecular FormulaC11H15BrOSi
Molecular Weight271.23 g/mol
Exact Mass270.01
IUPAC Name[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1O[C@H]1c1cccc(Br)c1
InChIInChI=1S/C11H15BrOSi/c1-14(2,3)11-10(13-11)8-5-4-6-9(12)7-8/h4-7,10-11H,1-3H3/t10-,11+/m0/s1
InChIKeySXYNCDVAIBVVFW-WDEREUQCSA-N
XLogP3.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 53.77
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'}

Analyze [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane 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

2-(4-Bromophenyl)oxirane
CID 119460
2-(3-Bromophenyl)oxirane
CID 147193
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
2-(4-Bromophenyl)-2-methyloxirane
CID 150702
2-(2-Bromophenyl)oxirane
CID 11030814
(R)-4-Bromostyrene oxide
CID 11217859
1-Bromo-4-((propan-2-yloxy)methyl)benzene
CID 21876945
1-Bromo-3-((propan-2-yloxy)methyl)benzene
CID 57573841

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane?
The IUPAC name of [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane (CID 59609126) is [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane.
What is the SMILES notation for [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane?
The canonical SMILES for [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane is C[Si](C)(C)[C@H]1O[C@H]1c1cccc(Br)c1.
What is the InChIKey of [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane?
The InChIKey is SXYNCDVAIBVVFW-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15BrOSi/c1-14(2,3)11-10(13-11)8-5-4-6-9(12)7-8/h4-7,10-11H,1-3H3/t10-,11+/m0/s1.
What are the key properties of [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane?
[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane has a molecular weight of 271.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane is sourced from PubChem (CID 59609126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).