Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane

C₁₆H₃₂O₂Si₂ — CID 11347501

About Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane

Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane (PubChem CID 11347501) has the molecular formula C₁₆H₃₂O₂Si₂ and a molecular weight of 312.60 g/mol. Its IUPAC name is trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane.

Molecular Properties

• Compound Name: Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane
• PubChem CID: 11347501
• Molecular Formula: C₁₆H₃₂O₂Si₂
• Molecular Weight: 312.60 g/mol
• Exact Mass: 312.19
• IUPAC Name: trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane
• SMILES: CC1(C)[C@@H]2CC[C@@]1(C)C(O[Si](C)(C)C)=C2O[Si](C)(C)C
• InChI: InChI=1S/C16H32O2Si2/c1-15(2)12-10-11-16(15,3)14(18-20(7,8)9)13(12)17-19(4,5)6/h12H,10-11H2,1-9H3/t12-,16+/m1/s1
• InChIKey: AYWIHLVSPVPYQC-WBMJQRKESA-N
• XLogP: 5.36
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	312.60
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane?

The IUPAC name of Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane (CID 11347501) is trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane.

What is the SMILES notation for Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane?

The canonical SMILES for Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane is CC1(C)[C@@H]2CC[C@@]1(C)C(O[Si](C)(C)C)=C2O[Si](C)(C)C.

What is the InChIKey of Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane?

The InChIKey is AYWIHLVSPVPYQC-WBMJQRKESA-N. The full InChI is InChI=1S/C16H32O2Si2/c1-15(2)12-10-11-16(15,3)14(18-20(7,8)9)13(12)17-19(4,5)6/h12H,10-11H2,1-9H3/t12-,16+/m1/s1.

What are the key properties of Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane?

Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane has a molecular weight of 312.60 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethyl-[[(1R,4S)-1,7,7-trimethyl-3-trimethylsilyloxy-2-bicyclo[2.2.1]hept-2-enyl]oxy]silane is sourced from PubChem (CID 11347501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11347501 — identifiers, structure, computed properties (public domain)

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