tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane

C27H40O6Si — CID 11156035

About tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane

tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane (PubChem CID 11156035) has the molecular formula C27H40O6Si and a molecular weight of 488.70 g/mol. Its IUPAC name is tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
• PubChem CID: 11156035
• Molecular Formula: C27H40O6Si
• Molecular Weight: 488.70 g/mol
• Exact Mass: 488.26
• IUPAC Name: tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
• SMILES: COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H40O6Si/c1-27(2,3)34(8,9)33-16-10-15-32-23-17-20(13-14-22(23)28-4)11-12-21-18-24(29-5)26(31-7)25(19-21)30-6/h11-14,17-19H,10,15-16H2,1-9H3/b12-11-
• InChIKey: YIOVUOGOLDCPEY-QXMHVHEDSA-N
• XLogP: 6.68
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.70
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane (CID 11156035) is tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane?

The InChIKey is YIOVUOGOLDCPEY-QXMHVHEDSA-N. The full InChI is InChI=1S/C27H40O6Si/c1-27(2,3)34(8,9)33-16-10-15-32-23-17-20(13-14-22(23)28-4)11-12-21-18-24(29-5)26(31-7)25(19-21)30-6/h11-14,17-19H,10,15-16H2,1-9H3/b12-11-.

What are the key properties of tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane?

tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane has a molecular weight of 488.70 g/mol, XLogP of 6.68, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane is sourced from PubChem (CID 11156035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).