6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate

C24H48O6Si3 — CID 89309257

About 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate

6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate (PubChem CID 89309257) has the molecular formula C24H48O6Si3 and a molecular weight of 516.90 g/mol. Its IUPAC name is 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate.

Molecular Properties

• Compound Name: 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
• PubChem CID: 89309257
• Molecular Formula: C24H48O6Si3
• Molecular Weight: 516.90 g/mol
• Exact Mass: 516.28
• IUPAC Name: 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
• SMILES: C=CC(=O)OCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCCCOC(=O)C=C
• InChI: InChI=1S/C24H48O6Si3/c1-9-23(25)27-19-15-11-13-17-21-31(3,4)29-33(7,8)30-32(5,6)22-18-14-12-16-20-28-24(26)10-2/h9-10H,1-2,11-22H2,3-8H3
• InChIKey: FYXRQBNLWCNMQX-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.90
LogP ≤ 5	6.71
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate?

The IUPAC name of 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate (CID 89309257) is 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate.

What is the SMILES notation for 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate?

The canonical SMILES for 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate is C=CC(=O)OCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCCCOC(=O)C=C.

What is the InChIKey of 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate?

The InChIKey is FYXRQBNLWCNMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O6Si3/c1-9-23(25)27-19-15-11-13-17-21-31(3,4)29-33(7,8)30-32(5,6)22-18-14-12-16-20-28-24(26)10-2/h9-10H,1-2,11-22H2,3-8H3.

What are the key properties of 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate?

6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate has a molecular weight of 516.90 g/mol, XLogP of 6.71, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate is sourced from PubChem (CID 89309257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).