tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane

C24H44O2Si — CID 134900451

About tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 134900451) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
• PubChem CID: 134900451
• Molecular Formula: C24H44O2Si
• Molecular Weight: 392.70 g/mol
• Exact Mass: 392.31
• IUPAC Name: tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
• SMILES: C/C=C/[C@H]1CC[C@H](C)[C@@H](/C(=C/C2CCCCC2)CO[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C24H44O2Si/c1-8-12-22-16-15-19(2)23(26-22)21(17-20-13-10-9-11-14-20)18-25-27(6,7)24(3,4)5/h8,12,17,19-20,22-23H,9-11,13-16,18H2,1-7H3/b12-8+,21-17+/t19-,22-,23-/m0/s1
• InChIKey: RZSVVUVUSBORRS-XSRUSOFJSA-N
• XLogP: 7.27
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.70
LogP ≤ 5	7.27
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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane (CID 134900451) is tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane is C/C=C/[C@H]1CC[C@H](C)[C@@H](/C(=C/C2CCCCC2)CO[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane?

The InChIKey is RZSVVUVUSBORRS-XSRUSOFJSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-8-12-22-16-15-19(2)23(26-22)21(17-20-13-10-9-11-14-20)18-25-27(6,7)24(3,4)5/h8,12,17,19-20,22-23H,9-11,13-16,18H2,1-7H3/b12-8+,21-17+/t19-,22-,23-/m0/s1.

What are the key properties of tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane?

tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 392.70 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 134900451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).