tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane

C19H36OSi2 — CID 134982625

About tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane

tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane (PubChem CID 134982625) has the molecular formula C19H36OSi2 and a molecular weight of 336.67 g/mol. Its IUPAC name is tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
• PubChem CID: 134982625
• Molecular Formula: C19H36OSi2
• Molecular Weight: 336.67 g/mol
• Exact Mass: 336.23
• IUPAC Name: tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
• SMILES: CC(/C=C/C#C[Si](C)(C)C)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H36OSi2/c1-17(13-11-12-14-21(6,7)8)15-18(2)16-20-22(9,10)19(3,4)5/h11,13,15,18H,16H2,1-10H3/b13-11+,17-15+/t18-/m1/s1
• InChIKey: CJEQRGSFQREJNP-PQDVUVJTSA-N
• XLogP: 6.03
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.67
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane (CID 134982625) is tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane is CC(/C=C/C#C[Si](C)(C)C)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane?

The InChIKey is CJEQRGSFQREJNP-PQDVUVJTSA-N. The full InChI is InChI=1S/C19H36OSi2/c1-17(13-11-12-14-21(6,7)8)15-18(2)16-20-22(9,10)19(3,4)5/h11,13,15,18H,16H2,1-10H3/b13-11+,17-15+/t18-/m1/s1.

What are the key properties of tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane?

tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane has a molecular weight of 336.67 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane is sourced from PubChem (CID 134982625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).