2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine

C33H43NO2Si — CID 140706236

About 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine

2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 140706236) has the molecular formula C33H43NO2Si and a molecular weight of 513.80 g/mol. Its IUPAC name is 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine
• PubChem CID: 140706236
• Molecular Formula: C33H43NO2Si
• Molecular Weight: 513.80 g/mol
• Exact Mass: 513.31
• IUPAC Name: 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine
• SMILES: CC(C)[Si](C)(C)OCC/C=C\C(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
• InChI: InChI=1S/C33H43NO2Si/c1-27(2)37(5,6)36-25-14-13-19-32(28-15-9-7-10-16-28)33(29-17-11-8-12-18-29)30-20-22-31(23-21-30)35-26-24-34(3)4/h7-13,15-23,27H,14,24-26H2,1-6H3/b19-13-,33-32?
• InChIKey: BIVVVDBVUMFZOY-ZCHAAVMXSA-N
• XLogP: 8.16
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.80
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine?

The IUPAC name of 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine (CID 140706236) is 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine?

The canonical SMILES for 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine is CC(C)[Si](C)(C)OCC/C=C\C(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.

What is the InChIKey of 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine?

The InChIKey is BIVVVDBVUMFZOY-ZCHAAVMXSA-N. The full InChI is InChI=1S/C33H43NO2Si/c1-27(2)37(5,6)36-25-14-13-19-32(28-15-9-7-10-16-28)33(29-17-11-8-12-18-29)30-20-22-31(23-21-30)35-26-24-34(3)4/h7-13,15-23,27H,14,24-26H2,1-6H3/b19-13-,33-32?.

What are the key properties of 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine?

2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 513.80 g/mol, XLogP of 8.16, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3Z)-6-[dimethyl(propan-2-yl)silyl]oxy-1,2-diphenylhexa-1,3-dienyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 140706236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).