tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane

C18H36O2Si2 — CID 138968662

About tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane

tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane (PubChem CID 138968662) has the molecular formula C18H36O2Si2 and a molecular weight of 340.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
• PubChem CID: 138968662
• Molecular Formula: C18H36O2Si2
• Molecular Weight: 340.66 g/mol
• Exact Mass: 340.23
• IUPAC Name: tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
• SMILES: C=CC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1[Si](C)(C)C
• InChI: InChI=1S/C18H36O2Si2/c1-10-11-12-13-14-15(16-17(19-16)21(5,6)7)20-22(8,9)18(2,3)4/h10,12-13,15-17H,1,11,14H2,2-9H3/b13-12-/t15-,16-,17-/m0/s1
• InChIKey: QTYIVKVRLCEPHS-UESNHRRGSA-N
• XLogP: 5.54
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	340.66
LogP ≤ 5	5.54
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 tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane (CID 138968662) is tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane is C=CC/C=C\C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1[Si](C)(C)C.

What is the InChIKey of tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane?

The InChIKey is QTYIVKVRLCEPHS-UESNHRRGSA-N. The full InChI is InChI=1S/C18H36O2Si2/c1-10-11-12-13-14-15(16-17(19-16)21(5,6)7)20-22(8,9)18(2,3)4/h10,12-13,15-17H,1,11,14H2,2-9H3/b13-12-/t15-,16-,17-/m0/s1.

What are the key properties of tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane?

tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane has a molecular weight of 340.66 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane is sourced from PubChem (CID 138968662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).