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

C28H49ClO11 — CID 161280477

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

2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate (PubChem CID 161280477) has the molecular formula C28H49ClO11 and a molecular weight of 597.14 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
• PubChem CID: 161280477
• Molecular Formula: C28H49ClO11
• Molecular Weight: 597.14 g/mol
• Exact Mass: 596.30
• IUPAC Name: 2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)Cl.C=C(C)C(=O)OCC(C)OCCOCC(C)OC(=O)C(=C)C.CC(O)COCCOC(C)CO
• InChI: InChI=1S/C16H26O6.C8H18O4.C4H5ClO/c1-11(2)15(17)21-10-13(5)20-8-7-19-9-14(6)22-16(18)12(3)4;1-7(10)6-11-3-4-12-8(2)5-9;1-3(2)4(5)6/h13-14H,1,3,7-10H2,2,4-6H3;7-10H,3-6H2,1-2H3;1H2,2H3
• InChIKey: VFAACTUONUFFLI-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 147.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.14
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate?

The IUPAC name of 2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate (CID 161280477) is 2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate.

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

The canonical SMILES for 2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)Cl.C=C(C)C(=O)OCC(C)OCCOCC(C)OC(=O)C(=C)C.CC(O)COCCOC(C)CO.

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

The InChIKey is VFAACTUONUFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6.C8H18O4.C4H5ClO/c1-11(2)15(17)21-10-13(5)20-8-7-19-9-14(6)22-16(18)12(3)4;1-7(10)6-11-3-4-12-8(2)5-9;1-3(2)4(5)6/h13-14H,1,3,7-10H2,2,4-6H3;7-10H,3-6H2,1-2H3;1H2,2H3.

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

2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate has a molecular weight of 597.14 g/mol, XLogP of 3.14, 19 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxypropoxy)ethoxy]propan-1-ol;2-methylprop-2-enoyl chloride;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 161280477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).