[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone

C29H43ClO7Si — CID 164811325

About [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone

[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone (PubChem CID 164811325) has the molecular formula C29H43ClO7Si and a molecular weight of 567.20 g/mol. Its IUPAC name is [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

• Compound Name: [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
• PubChem CID: 164811325
• Molecular Formula: C29H43ClO7Si
• Molecular Weight: 567.20 g/mol
• Exact Mass: 566.25
• IUPAC Name: [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
• SMILES: CC(C)(C)[Si](C)(C)OCCOCCOCCOCCOCCOc1ccc(C(=O)c2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C29H43ClO7Si/c1-29(2,3)38(4,5)37-23-21-35-19-17-33-15-14-32-16-18-34-20-22-36-27-12-8-25(9-13-27)28(31)24-6-10-26(30)11-7-24/h6-13H,14-23H2,1-5H3
• InChIKey: JCKRBKWUYPXESO-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.20
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone?

The IUPAC name of [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone (CID 164811325) is [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone.

What is the SMILES notation for [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone?

The canonical SMILES for [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone is CC(C)(C)[Si](C)(C)OCCOCCOCCOCCOCCOc1ccc(C(=O)c2ccc(Cl)cc2)cc1.

What is the InChIKey of [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone?

The InChIKey is JCKRBKWUYPXESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43ClO7Si/c1-29(2,3)38(4,5)37-23-21-35-19-17-33-15-14-32-16-18-34-20-22-36-27-12-8-25(9-13-27)28(31)24-6-10-26(30)11-7-24/h6-13H,14-23H2,1-5H3.

What are the key properties of [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone?

[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone has a molecular weight of 567.20 g/mol, XLogP of 6.04, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 164811325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).