tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane

C27H50O2Si — CID 10502992

About tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane

tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane (PubChem CID 10502992) has the molecular formula C27H50O2Si and a molecular weight of 434.78 g/mol. Its IUPAC name is tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane
• PubChem CID: 10502992
• Molecular Formula: C27H50O2Si
• Molecular Weight: 434.78 g/mol
• Exact Mass: 434.36
• IUPAC Name: tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane
• SMILES: C/C(=C\CC/C=C(\C)CCO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC1OC1(C)C
• InChI: InChI=1S/C27H50O2Si/c1-22(16-13-17-23(2)18-19-25-27(7,8)29-25)14-11-12-15-24(3)20-21-28-30(9,10)26(4,5)6/h14-15,17,25H,11-13,16,18-21H2,1-10H3/b22-14+,23-17+,24-15+
• InChIKey: DRWSJMFFPQXDBP-IBRXCPKVSA-N
• XLogP: 8.76
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.78
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane (CID 10502992) is tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane is C/C(=C\CC/C=C(\C)CCO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC1OC1(C)C.

What is the InChIKey of tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane?

The InChIKey is DRWSJMFFPQXDBP-IBRXCPKVSA-N. The full InChI is InChI=1S/C27H50O2Si/c1-22(16-13-17-23(2)18-19-25-27(7,8)29-25)14-11-12-15-24(3)20-21-28-30(9,10)26(4,5)6/h14-15,17,25H,11-13,16,18-21H2,1-10H3/b22-14+,23-17+,24-15+.

What are the key properties of tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane?

tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane has a molecular weight of 434.78 g/mol, XLogP of 8.76, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane is sourced from PubChem (CID 10502992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).