trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane

C28H42O4Si2 — CID 10255368

About trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane

trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane (PubChem CID 10255368) has the molecular formula C28H42O4Si2 and a molecular weight of 498.81 g/mol. Its IUPAC name is trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane.

Molecular Properties

• Compound Name: trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane
• PubChem CID: 10255368
• Molecular Formula: C28H42O4Si2
• Molecular Weight: 498.81 g/mol
• Exact Mass: 498.26
• IUPAC Name: trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane
• SMILES: CC(C)[C@@H]1CC[C@@H](C)CC12Oc1cccc(O[Si](C)(C)C)c1-c1c(cccc1O[Si](C)(C)C)O2
• InChI: InChI=1S/C28H42O4Si2/c1-19(2)21-17-16-20(3)18-28(21)29-22-12-10-14-24(31-33(4,5)6)26(22)27-23(30-28)13-11-15-25(27)32-34(7,8)9/h10-15,19-21H,16-18H2,1-9H3/t20-,21+/m1/s1
• InChIKey: VFFUFDWZYATBCL-RTWAWAEBSA-N
• XLogP: 8.34
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.81
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane?

The IUPAC name of trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane (CID 10255368) is trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane.

What is the SMILES notation for trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane?

The canonical SMILES for trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane is CC(C)[C@@H]1CC[C@@H](C)CC12Oc1cccc(O[Si](C)(C)C)c1-c1c(cccc1O[Si](C)(C)C)O2.

What is the InChIKey of trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane?

The InChIKey is VFFUFDWZYATBCL-RTWAWAEBSA-N. The full InChI is InChI=1S/C28H42O4Si2/c1-19(2)21-17-16-20(3)18-28(21)29-22-12-10-14-24(31-33(4,5)6)26(22)27-23(30-28)13-11-15-25(27)32-34(7,8)9/h10-15,19-21H,16-18H2,1-9H3/t20-,21+/m1/s1.

What are the key properties of trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane?

trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane has a molecular weight of 498.81 g/mol, XLogP of 8.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[(2'S,5'R)-5'-methyl-2'-propan-2-yl-1-trimethylsilyloxyspiro[benzo[d][1,3]benzodioxepine-6,1'-cyclohexane]-11-yl]oxysilane is sourced from PubChem (CID 10255368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).