6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol

C30H44N2O4Si — CID 67382087

About 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol

6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol (PubChem CID 67382087) has the molecular formula C30H44N2O4Si and a molecular weight of 524.78 g/mol. Its IUPAC name is 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol.

Molecular Properties

• Compound Name: 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol
• PubChem CID: 67382087
• Molecular Formula: C30H44N2O4Si
• Molecular Weight: 524.78 g/mol
• Exact Mass: 524.31
• IUPAC Name: 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol
• SMILES: CCC1(CCCCCC(O)c2nc(-c3ccc4ccccc4c3)cn2COCC[Si](C)(C)C)OCCO1
• InChI: InChI=1S/C30H44N2O4Si/c1-5-30(35-17-18-36-30)16-10-6-7-13-28(33)29-31-27(22-32(29)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22,28,33H,5-7,10,13,16-20,23H2,1-4H3
• InChIKey: NATICPMTTLWYIX-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 65.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.78
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
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'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol?

The IUPAC name of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol (CID 67382087) is 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol.

What is the SMILES notation for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol?

The canonical SMILES for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol is CCC1(CCCCCC(O)c2nc(-c3ccc4ccccc4c3)cn2COCC[Si](C)(C)C)OCCO1.

What is the InChIKey of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol?

The InChIKey is NATICPMTTLWYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O4Si/c1-5-30(35-17-18-36-30)16-10-6-7-13-28(33)29-31-27(22-32(29)23-34-19-20-37(2,3)4)26-15-14-24-11-8-9-12-25(24)21-26/h8-9,11-12,14-15,21-22,28,33H,5-7,10,13,16-20,23H2,1-4H3.

What are the key properties of 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol?

6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol has a molecular weight of 524.78 g/mol, XLogP of 7.15, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-ethyl-1,3-dioxolan-2-yl)-1-[4-naphthalen-2-yl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]hexan-1-ol is sourced from PubChem (CID 67382087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).