[(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

C24H46O2Si2 — CID 134983004

About [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

[(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134983004) has the molecular formula C24H46O2Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 134983004
• Molecular Formula: C24H46O2Si2
• Molecular Weight: 422.80 g/mol
• Exact Mass: 422.30
• IUPAC Name: [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C[C@@]12CCCCC1=CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2
• InChI: InChI=1S/C24H46O2Si2/c1-12-24-16-14-13-15-19(24)17-20(25-27(8,9)22(2,3)4)21(18-24)26-28(10,11)23(5,6)7/h12,17,20-21H,1,13-16,18H2,2-11H3/t20?,21?,24-/m0/s1
• InChIKey: VHFLGQKYEQBQKR-VUNKPPBISA-N
• XLogP: 7.84
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.80
LogP ≤ 5	7.84
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 [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 134983004) is [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is C=C[C@@]12CCCCC1=CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2.

What is the InChIKey of [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is VHFLGQKYEQBQKR-VUNKPPBISA-N. The full InChI is InChI=1S/C24H46O2Si2/c1-12-24-16-14-13-15-19(24)17-20(25-27(8,9)22(2,3)4)21(18-24)26-28(10,11)23(5,6)7/h12,17,20-21H,1,13-16,18H2,2-11H3/t20?,21?,24-/m0/s1.

What are the key properties of [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?

[(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 422.80 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134983004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).