triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane

C25H48O2Si2 — CID 134940845

About triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane

triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane (PubChem CID 134940845) has the molecular formula C25H48O2Si2 and a molecular weight of 436.83 g/mol. Its IUPAC name is triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane.

Molecular Properties

• Compound Name: triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane
• PubChem CID: 134940845
• Molecular Formula: C25H48O2Si2
• Molecular Weight: 436.83 g/mol
• Exact Mass: 436.32
• IUPAC Name: triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane
• SMILES: CC[Si](CC)(CC)OC[C@H]1C=CC2=C(CC1)[C@H]([C@@H](C)O[Si](CC)(CC)CC)CC2
• InChI: InChI=1S/C25H48O2Si2/c1-8-28(9-2,10-3)26-20-22-14-16-23-17-19-24(25(23)18-15-22)21(7)27-29(11-4,12-5)13-6/h14,16,21-22,24H,8-13,15,17-20H2,1-7H3/t21-,22+,24+/m1/s1
• InChIKey: GANCDHNWLXOEBF-GPXNEJASSA-N
• XLogP: 8.09
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.83
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane?

The IUPAC name of triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane (CID 134940845) is triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane.

What is the SMILES notation for triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane?

The canonical SMILES for triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane is CC[Si](CC)(CC)OC[C@H]1C=CC2=C(CC1)[C@H]([C@@H](C)O[Si](CC)(CC)CC)CC2.

What is the InChIKey of triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane?

The InChIKey is GANCDHNWLXOEBF-GPXNEJASSA-N. The full InChI is InChI=1S/C25H48O2Si2/c1-8-28(9-2,10-3)26-20-22-14-16-23-17-19-24(25(23)18-15-22)21(7)27-29(11-4,12-5)13-6/h14,16,21-22,24H,8-13,15,17-20H2,1-7H3/t21-,22+,24+/m1/s1.

What are the key properties of triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane?

triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane has a molecular weight of 436.83 g/mol, XLogP of 8.09, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane is sourced from PubChem (CID 134940845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).