tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane

C25H42O4Si — CID 11189745

About tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane

tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane (PubChem CID 11189745) has the molecular formula C25H42O4Si and a molecular weight of 434.69 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane
• PubChem CID: 11189745
• Molecular Formula: C25H42O4Si
• Molecular Weight: 434.69 g/mol
• Exact Mass: 434.29
• IUPAC Name: tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane
• SMILES: C=C[C@@H](C/C(C)=C/[C@@H](OC)[C@@H](C)CO[Si](C)(C)C(C)(C)C)Oc1ccc(OC)cc1
• InChI: InChI=1S/C25H42O4Si/c1-11-21(29-23-14-12-22(26-7)13-15-23)16-19(2)17-24(27-8)20(3)18-28-30(9,10)25(4,5)6/h11-15,17,20-21,24H,1,16,18H2,2-10H3/b19-17+/t20-,21-,24+/m0/s1
• InChIKey: BNEWLAWTXFFBGU-JPTPODOHSA-N
• XLogP: 6.64
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.69
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane (CID 11189745) is tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane is C=C[C@@H](C/C(C)=C/[C@@H](OC)[C@@H](C)CO[Si](C)(C)C(C)(C)C)Oc1ccc(OC)cc1.

What is the InChIKey of tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane?

The InChIKey is BNEWLAWTXFFBGU-JPTPODOHSA-N. The full InChI is InChI=1S/C25H42O4Si/c1-11-21(29-23-14-12-22(26-7)13-15-23)16-19(2)17-24(27-8)20(3)18-28-30(9,10)25(4,5)6/h11-15,17,20-21,24H,1,16,18H2,2-10H3/b19-17+/t20-,21-,24+/m0/s1.

What are the key properties of tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane?

tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane has a molecular weight of 434.69 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S,3R,4E,7R)-3-methoxy-7-(4-methoxyphenoxy)-2,5-dimethylnona-4,8-dienoxy]-dimethylsilane is sourced from PubChem (CID 11189745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).