carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate

C20H40O6Si3 — CID 158834498

About carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate

carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 158834498) has the molecular formula C20H40O6Si3 and a molecular weight of 460.79 g/mol. Its IUPAC name is carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 158834498
• Molecular Formula: C20H40O6Si3
• Molecular Weight: 460.79 g/mol
• Exact Mass: 460.21
• IUPAC Name: carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C.O=C=O
• InChI: InChI=1S/C19H40O4Si3.CO2/c1-17(2)13-11-15-24(5,6)22-26(9,10)23-25(7,8)16-12-14-21-19(20)18(3)4;2-1-3/h1,3,11-16H2,2,4-10H3
• InChIKey: IXLPJZYMVXYIRR-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.79
LogP ≤ 5	5.41
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate (CID 158834498) is carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate is C=C(C)CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C.O=C=O.

What is the InChIKey of carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The InChIKey is IXLPJZYMVXYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4Si3.CO2/c1-17(2)13-11-15-24(5,6)22-26(9,10)23-25(7,8)16-12-14-21-19(20)18(3)4;2-1-3/h1,3,11-16H2,2,4-10H3;.

What are the key properties of carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 460.79 g/mol, XLogP of 5.41, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 158834498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).