tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane

C29H54O2SiSn — CID 16757120

About tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane

tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane (PubChem CID 16757120) has the molecular formula C29H54O2SiSn and a molecular weight of 581.55 g/mol. Its IUPAC name is tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane
• PubChem CID: 16757120
• Molecular Formula: C29H54O2SiSn
• Molecular Weight: 581.55 g/mol
• Exact Mass: 582.29
• IUPAC Name: tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane
• SMILES: C=CCCC/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/C26H45O2Si.3CH3.Sn/c1-12-13-14-15-16-17-18-22(4)25(27-9)23(5)24(20-19-21(2)3)28-29(10,11)26(6,7)8;;;;/h2,12,16-20,23-25H,1,13-15H2,3-11H3;3*1H3;/b17-16+,20-19+,21-2?,22-18+;;;;/t23-,24+,25+;;;;/m0..../s1
• InChIKey: FWXQKJWQYAYOGV-UVMZUDJFSA-N
• XLogP: 9.27
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.55
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane (CID 16757120) is tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane is C=CCCC/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,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane?

The InChIKey is FWXQKJWQYAYOGV-UVMZUDJFSA-N. The full InChI is InChI=1S/C26H45O2Si.3CH3.Sn/c1-12-13-14-15-16-17-18-22(4)25(27-9)23(5)24(20-19-21(2)3)28-29(10,11)26(6,7)8;;;;/h2,12,16-20,23-25H,1,13-15H2,3-11H3;3*1H3;/b17-16+,20-19+,21-2?,22-18+;;;;/t23-,24+,25+;;;;/m0..../s1.

What are the key properties of tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane?

tert-butyl-[(1Z,3E,5R,6R,7S,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane has a molecular weight of 581.55 g/mol, XLogP of 9.27, 14 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,8E,10E)-7-methoxy-2,6,8-trimethyl-1-trimethylstannylhexadeca-1,3,8,10,15-pentaen-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 16757120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).