[(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane

C18H35BrO2Si — CID 134883618

About [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134883618) has the molecular formula C18H35BrO2Si and a molecular weight of 391.47 g/mol. Its IUPAC name is [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 134883618
• Molecular Formula: C18H35BrO2Si
• Molecular Weight: 391.47 g/mol
• Exact Mass: 390.16
• IUPAC Name: [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CC(C)=C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCBr)O1
• InChI: InChI=1S/C18H35BrO2Si/c1-13(2)11-15-12-17(14(3)16(20-15)9-10-19)21-22(7,8)18(4,5)6/h11,14-17H,9-10,12H2,1-8H3/t14-,15-,16+,17+/m1/s1
• InChIKey: MITQYFFCHAXDGN-NCOADZHNSA-N
• XLogP: 5.92
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 134883618) is [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)=C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCBr)O1.

What is the InChIKey of [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is MITQYFFCHAXDGN-NCOADZHNSA-N. The full InChI is InChI=1S/C18H35BrO2Si/c1-13(2)11-15-12-17(14(3)16(20-15)9-10-19)21-22(7,8)18(4,5)6/h11,14-17H,9-10,12H2,1-8H3/t14-,15-,16+,17+/m1/s1.

What are the key properties of [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?

[(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 391.47 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4S,6S)-2-(2-bromoethyl)-3-methyl-6-(2-methylprop-1-enyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134883618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).