tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane

C27H50O2SiSn — CID 135017274

About tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane

tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane (PubChem CID 135017274) has the molecular formula C27H50O2SiSn and a molecular weight of 553.49 g/mol. Its IUPAC name is tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane
• PubChem CID: 135017274
• Molecular Formula: C27H50O2SiSn
• Molecular Weight: 553.49 g/mol
• Exact Mass: 554.26
• IUPAC Name: tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane
• SMILES: C=CC/C=C/C=C(/C)[C@@H](OC)[C@@H](C)[C@@H](/C=C/C(C)=C\[Sn](C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H41O2Si.3CH3.Sn/c1-12-13-14-15-16-20(4)23(25-9)21(5)22(18-17-19(2)3)26-27(10,11)24(6,7)8;;;;/h2,12,14-18,21-23H,1,13H2,3-11H3;3*1H3;/b15-14+,18-17+,19-2?,20-16-;;;;/t21-,22+,23+;;;;/m0..../s1
• InChIKey: WXIICSIWXLQWBO-DZSMLYNGSA-N
• XLogP: 8.49
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.49
LogP ≤ 5	8.49
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane (CID 135017274) is tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane is C=CC/C=C/C=C(/C)[C@@H](OC)[C@@H](C)[C@@H](/C=C/C(C)=C\[Sn](C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane?

The InChIKey is WXIICSIWXLQWBO-DZSMLYNGSA-N. The full InChI is InChI=1S/C24H41O2Si.3CH3.Sn/c1-12-13-14-15-16-20(4)23(25-9)21(5)22(18-17-19(2)3)26-27(10,11)24(6,7)8;;;;/h2,12,14-18,21-23H,1,13H2,3-11H3;3*1H3;/b15-14+,18-17+,19-2?,20-16-;;;;/t21-,22+,23+;;;;/m0..../s1.

What are the key properties of tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane?

tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane has a molecular weight of 553.49 g/mol, XLogP of 8.49, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1Z,3E,5R,6R,7S,8Z,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannyltetradeca-1,3,8,10,13-pentaen-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 135017274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).