tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane

C36H64OSiSn — CID 11849254

About tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane (PubChem CID 11849254) has the molecular formula C36H64OSiSn and a molecular weight of 659.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane
• PubChem CID: 11849254
• Molecular Formula: C36H64OSiSn
• Molecular Weight: 659.70 g/mol
• Exact Mass: 660.37
• IUPAC Name: tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane
• SMILES: CCCC[Sn](/C=C/C=C\C=C(/C)C#CC1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C)(CCCC)CCCC
• InChI: InChI=1S/C24H37OSi.3C4H9.Sn/c1-11-12-13-14-19(2)15-16-22-20(3)17-21(18-24(22,7)8)25-26(9,10)23(4,5)6;3*1-3-4-2;/h1,11-14,21H,17-18H2,2-10H3;3*1,3-4H2,2H3;/b11-1?,13-12-,19-14+;;;;/t21-;;;;/m1..../s1
• InChIKey: FBSHLPXIZGVBDD-GRJYAVRUSA-N
• XLogP: 11.96
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.70
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane (CID 11849254) is tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane.

What is the SMILES notation for tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane?

The canonical SMILES for tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane is CCCC[Sn](/C=C/C=C\C=C(/C)C#CC1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C)(CCCC)CCCC.

What is the InChIKey of tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane?

The InChIKey is FBSHLPXIZGVBDD-GRJYAVRUSA-N. The full InChI is InChI=1S/C24H37OSi.3C4H9.Sn/c1-11-12-13-14-19(2)15-16-22-20(3)17-21(18-24(22,7)8)25-26(9,10)23(4,5)6;3*1-3-4-2;/h1,11-14,21H,17-18H2,2-10H3;3*1,3-4H2,2H3;/b11-1?,13-12-,19-14+;;;;/t21-;;;;/m1..../s1.

What are the key properties of tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane?

tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane has a molecular weight of 659.70 g/mol, XLogP of 11.96, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 11849254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).