2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

C25H46O11 — CID 22023985

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 22023985) has the molecular formula C25H46O11 and a molecular weight of 522.63 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 22023985
• Molecular Formula: C25H46O11
• Molecular Weight: 522.63 g/mol
• Exact Mass: 522.30
• IUPAC Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C.CC(O)COC(C)COC(C)CO
• InChI: InChI=1S/C16H26O7.C9H20O4/c1-13(2)15(17)22-11-9-20-7-5-19-6-8-21-10-12-23-16(18)14(3)4;1-7(11)5-12-9(3)6-13-8(2)4-10/h1,3,5-12H2,2,4H3;7-11H,4-6H2,1-3H3
• InChIKey: GOEOJDMRTGDAEG-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 139.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.63
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate (CID 22023985) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C.CC(O)COC(C)COC(C)CO.

What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is GOEOJDMRTGDAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O7.C9H20O4/c1-13(2)15(17)22-11-9-20-7-5-19-6-8-21-10-12-23-16(18)14(3)4;1-7(11)5-12-9(3)6-13-8(2)4-10/h1,3,5-12H2,2,4H3;7-11H,4-6H2,1-3H3.

What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate?

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 522.63 g/mol, XLogP of 1.44, 21 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22023985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).