2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate

C27H54O6Si2 — CID 123218706

About 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate

2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate (PubChem CID 123218706) has the molecular formula C27H54O6Si2 and a molecular weight of 530.90 g/mol. Its IUPAC name is 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 123218706
• Molecular Formula: C27H54O6Si2
• Molecular Weight: 530.90 g/mol
• Exact Mass: 530.35
• IUPAC Name: 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCCC(C)(CC)[Si](C)(C)OC(C)(CC)[Si](C)(C)CCCOCC1CO1
• InChI: InChI=1S/C27H54O6Si2/c1-11-26(5,15-13-16-29-18-19-31-25(28)23(3)4)35(9,10)33-27(6,12-2)34(7,8)20-14-17-30-21-24-22-32-24/h24H,3,11-22H2,1-2,4-10H3
• InChIKey: KZYLMMUISAYPAO-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 66.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.90
LogP ≤ 5	6.52
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate (CID 123218706) is 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCCC(C)(CC)[Si](C)(C)OC(C)(CC)[Si](C)(C)CCCOCC1CO1.

What is the InChIKey of 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is KZYLMMUISAYPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O6Si2/c1-11-26(5,15-13-16-29-18-19-31-25(28)23(3)4)35(9,10)33-27(6,12-2)34(7,8)20-14-17-30-21-24-22-32-24/h24H,3,11-22H2,1-2,4-10H3.

What are the key properties of 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate?

2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 530.90 g/mol, XLogP of 6.52, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]butan-2-yloxy-dimethylsilyl]-4-methylhexoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123218706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).