2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide

C30H37N3O6SSi — CID 160628911

About 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide

2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide (PubChem CID 160628911) has the molecular formula C30H37N3O6SSi and a molecular weight of 595.79 g/mol. Its IUPAC name is 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide.

Molecular Properties

• Compound Name: 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide
• PubChem CID: 160628911
• Molecular Formula: C30H37N3O6SSi
• Molecular Weight: 595.79 g/mol
• Exact Mass: 595.22
• IUPAC Name: 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide
• SMILES: CO[Si](C)(C)CCOC(=O)CCc1cc(-n2nc3ccc(-c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1.O=S=O
• InChI: InChI=1S/C30H37N3O4Si.O2S/c1-30(2,3)24-18-21(12-15-28(34)37-16-17-38(5,6)36-4)19-27(29(24)35)33-31-25-14-13-23(20-26(25)32-33)22-10-8-7-9-11-22;1-3-2/h7-11,13-14,18-20,35H,12,15-17H2,1-6H3
• InChIKey: RHRAHBWUWIIDGC-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 120.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.79
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide?

The IUPAC name of 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide (CID 160628911) is 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide.

What is the SMILES notation for 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide?

The canonical SMILES for 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide is CO[Si](C)(C)CCOC(=O)CCc1cc(-n2nc3ccc(-c4ccccc4)cc3n2)c(O)c(C(C)(C)C)c1.O=S=O.

What is the InChIKey of 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide?

The InChIKey is RHRAHBWUWIIDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4Si.O2S/c1-30(2,3)24-18-21(12-15-28(34)37-16-17-38(5,6)36-4)19-27(29(24)35)33-31-25-14-13-23(20-26(25)32-33)22-10-8-7-9-11-22;1-3-2/h7-11,13-14,18-20,35H,12,15-17H2,1-6H3;.

What are the key properties of 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide?

2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide has a molecular weight of 595.79 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methoxy(dimethyl)silyl]ethyl 3-[3-tert-butyl-4-hydroxy-5-(5-phenylbenzotriazol-2-yl)phenyl]propanoate;sulfur dioxide is sourced from PubChem (CID 160628911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).