[(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane

C33H58O3Si2 — CID 91751564

About [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane

[(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 91751564) has the molecular formula C33H58O3Si2 and a molecular weight of 559.00 g/mol. Its IUPAC name is [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 91751564
• Molecular Formula: C33H58O3Si2
• Molecular Weight: 559.00 g/mol
• Exact Mass: 558.39
• IUPAC Name: [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@@H]1C=C(C)CC(O[Si](C)(C)C(C)(C)C)[C@H]1C(C)(C)O2
• InChI: InChI=1S/C33H58O3Si2/c1-15-16-17-18-24-21-26-29(27(22-24)35-37(11,12)31(3,4)5)25-19-23(2)20-28(30(25)33(9,10)34-26)36-38(13,14)32(6,7)8/h19,21-22,25,28,30H,15-18,20H2,1-14H3/t25-,28?,30-/m0/s1
• InChIKey: NJYOJCSBHZZTCW-NFUCCUETSA-N
• XLogP: 10.41
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• 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 [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane (CID 91751564) is [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane is CCCCCc1cc2c(c(O[Si](C)(C)C(C)(C)C)c1)[C@@H]1C=C(C)CC(O[Si](C)(C)C(C)(C)C)[C@H]1C(C)(C)O2.

What is the InChIKey of [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is NJYOJCSBHZZTCW-NFUCCUETSA-N. The full InChI is InChI=1S/C33H58O3Si2/c1-15-16-17-18-24-21-26-29(27(22-24)35-37(11,12)31(3,4)5)25-19-23(2)20-28(30(25)33(9,10)34-26)36-38(13,14)32(6,7)8/h19,21-22,25,28,30H,15-18,20H2,1-14H3/t25-,28?,30-/m0/s1.

What are the key properties of [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane?

[(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 559.00 g/mol, XLogP of 10.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(6aS,10aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91751564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).