tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane

C17H30O2Si — CID 10968422

About tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane

tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane (PubChem CID 10968422) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
• PubChem CID: 10968422
• Molecular Formula: C17H30O2Si
• Molecular Weight: 294.51 g/mol
• Exact Mass: 294.20
• IUPAC Name: tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
• SMILES: C=CCCCC12CCC=C(O[Si](C)(C)C(C)(C)C)C1O2
• InChI: InChI=1S/C17H30O2Si/c1-7-8-9-12-17-13-10-11-14(15(17)18-17)19-20(5,6)16(2,3)4/h7,11,15H,1,8-10,12-13H2,2-6H3
• InChIKey: BZLLRHBXUFAYJA-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	294.51
LogP ≤ 5	5.18
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-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane (CID 10968422) is tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane is C=CCCCC12CCC=C(O[Si](C)(C)C(C)(C)C)C1O2.

What is the InChIKey of tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane?

The InChIKey is BZLLRHBXUFAYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-7-8-9-12-17-13-10-11-14(15(17)18-17)19-20(5,6)16(2,3)4/h7,11,15H,1,8-10,12-13H2,2-6H3.

What are the key properties of tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane?

tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane has a molecular weight of 294.51 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(6-pent-4-enyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane is sourced from PubChem (CID 10968422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).