triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane

C33H58O3Si2 — CID 634665

About triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane

triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane (PubChem CID 634665) has the molecular formula C33H58O3Si2 and a molecular weight of 559.00 g/mol. Its IUPAC name is triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane.

Molecular Properties

• Compound Name: triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane
• PubChem CID: 634665
• Molecular Formula: C33H58O3Si2
• Molecular Weight: 559.00 g/mol
• Exact Mass: 558.39
• IUPAC Name: triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane
• SMILES: CCCCCc1cc2c(c(O[Si](CC)(CC)CC)c1)C1C=C(C)C(O[Si](CC)(CC)CC)CC1C(C)(C)O2
• InChI: InChI=1S/C33H58O3Si2/c1-11-18-19-20-26-22-30-32(31(23-26)36-38(15-5,16-6)17-7)27-21-25(8)29(24-28(27)33(9,10)34-30)35-37(12-2,13-3)14-4/h21-23,27-29H,11-20,24H2,1-10H3
• InChIKey: YMAHURPNACDNQA-UHFFFAOYSA-N
• XLogP: 10.41
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.00
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane?

The IUPAC name of triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane (CID 634665) is triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane.

What is the SMILES notation for triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane?

The canonical SMILES for triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane is CCCCCc1cc2c(c(O[Si](CC)(CC)CC)c1)C1C=C(C)C(O[Si](CC)(CC)CC)CC1C(C)(C)O2.

What is the InChIKey of triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane?

The InChIKey is YMAHURPNACDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58O3Si2/c1-11-18-19-20-26-22-30-32(31(23-26)36-38(15-5,16-6)17-7)27-21-25(8)29(24-28(27)33(9,10)34-30)35-37(12-2,13-3)14-4/h21-23,27-29H,11-20,24H2,1-10H3.

What are the key properties of triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane?

triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane has a molecular weight of 559.00 g/mol, XLogP of 10.41, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(6,6,9-trimethyl-3-pentyl-1-triethylsilyloxy-6a,7,8,10a-tetrahydrobenzo[c]chromen-8-yl)oxy]silane is sourced from PubChem (CID 634665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).