triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane

C21H38O2Si — CID 11089438

About triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane

triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane (PubChem CID 11089438) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane.

Molecular Properties

• Compound Name: triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane
• PubChem CID: 11089438
• Molecular Formula: C21H38O2Si
• Molecular Weight: 350.62 g/mol
• Exact Mass: 350.26
• IUPAC Name: triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane
• SMILES: C=C([C@H]1CCC(C)=C[C@H]1O[Si](CC)(CC)CC)[C@H]1O[C@@H]1CC(C)C
• InChI: InChI=1S/C21H38O2Si/c1-8-24(9-2,10-3)23-19-14-16(6)11-12-18(19)17(7)21-20(22-21)13-15(4)5/h14-15,18-21H,7-13H2,1-6H3/t18-,19-,20-,21-/m1/s1
• InChIKey: ITXIWVVDHMPVSE-XRXFAXGQSA-N
• XLogP: 6.10
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.62
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane?

The IUPAC name of triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane (CID 11089438) is triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane.

What is the SMILES notation for triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane?

The canonical SMILES for triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane is C=C([C@H]1CCC(C)=C[C@H]1O[Si](CC)(CC)CC)[C@H]1O[C@@H]1CC(C)C.

What is the InChIKey of triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane?

The InChIKey is ITXIWVVDHMPVSE-XRXFAXGQSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-8-24(9-2,10-3)23-19-14-16(6)11-12-18(19)17(7)21-20(22-21)13-15(4)5/h14-15,18-21H,7-13H2,1-6H3/t18-,19-,20-,21-/m1/s1.

What are the key properties of triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane?

triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane has a molecular weight of 350.62 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(1R,6R)-3-methyl-6-[1-[(2R,3R)-3-(2-methylpropyl)oxiran-2-yl]ethenyl]cyclohex-2-en-1-yl]oxysilane is sourced from PubChem (CID 11089438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).