tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane

C20H42O2Si2 — CID 134951609

About tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane

tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane (PubChem CID 134951609) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
• PubChem CID: 134951609
• Molecular Formula: C20H42O2Si2
• Molecular Weight: 370.73 g/mol
• Exact Mass: 370.27
• IUPAC Name: tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
• SMILES: C=CC[C@H](O[Si](C)(C)C)C(C)(C)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H42O2Si2/c1-13-15-17(21-23(8,9)10)20(6,7)18(16-14-2)22-24(11,12)19(3,4)5/h13-14,16-18H,1,15H2,2-12H3/b16-14+/t17-,18-/m0/s1
• InChIKey: AUHRMYWJBUOYIX-YERQVDBCSA-N
• XLogP: 6.78
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.73
LogP ≤ 5	6.78
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-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane (CID 134951609) is tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane is C=CC[C@H](O[Si](C)(C)C)C(C)(C)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane?

The InChIKey is AUHRMYWJBUOYIX-YERQVDBCSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-13-15-17(21-23(8,9)10)20(6,7)18(16-14-2)22-24(11,12)19(3,4)5/h13-14,16-18H,1,15H2,2-12H3/b16-14+/t17-,18-/m0/s1.

What are the key properties of tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane?

tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 134951609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).