[(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane

C28H56O2Si2 — CID 68935718

About [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane

[(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane (PubChem CID 68935718) has the molecular formula C28H56O2Si2 and a molecular weight of 480.93 g/mol. Its IUPAC name is [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane
• PubChem CID: 68935718
• Molecular Formula: C28H56O2Si2
• Molecular Weight: 480.93 g/mol
• Exact Mass: 480.38
• IUPAC Name: [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane
• SMILES: C[C@H](C=C[C@@H](C)C(C)(C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
• InChI: InChI=1S/C28H56O2Si2/c1-21(16-17-22(2)27(6,7)30-31(9,10)11)23-18-19-24-25(15-14-20-28(23,24)8)29-32(12,13)26(3,4)5/h16-17,21-25H,14-15,18-20H2,1-13H3/t21-,22-,23-,24+,25+,28-/m1/s1
• InChIKey: OXERWIKWMIRUCE-BRMWOSQNSA-N
• XLogP: 9.05
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.93
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane?

The IUPAC name of [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane (CID 68935718) is [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane.

What is the SMILES notation for [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane?

The canonical SMILES for [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane is C[C@H](C=C[C@@H](C)C(C)(C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.

What is the InChIKey of [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane?

The InChIKey is OXERWIKWMIRUCE-BRMWOSQNSA-N. The full InChI is InChI=1S/C28H56O2Si2/c1-21(16-17-22(2)27(6,7)30-31(9,10)11)23-18-19-24-25(15-14-20-28(23,24)8)29-32(12,13)26(3,4)5/h16-17,21-25H,14-15,18-20H2,1-13H3/t21-,22-,23-,24+,25+,28-/m1/s1.

What are the key properties of [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane?

[(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane has a molecular weight of 480.93 g/mol, XLogP of 9.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,6R)-6-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 68935718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).