2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid

C18H36O8 — CID 87252519

About 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid

2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid (PubChem CID 87252519) has the molecular formula C18H36O8 and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
• PubChem CID: 87252519
• Molecular Formula: C18H36O8
• Molecular Weight: 380.48 g/mol
• Exact Mass: 380.24
• IUPAC Name: 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid
• SMILES: C=CC(=O)O.CC(O)COC(C)COC(C)COC(C)COC(C)CO
• InChI: InChI=1S/C15H32O6.C3H4O2/c1-11(17)7-18-13(3)9-20-15(5)10-21-14(4)8-19-12(2)6-16;1-2-3(4)5/h11-17H,6-10H2,1-5H3;2H,1H2,(H,4,5)
• InChIKey: CMFYFUADLDVJIH-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 114.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.48
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid?

The IUPAC name of 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid (CID 87252519) is 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid.

What is the SMILES notation for 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid?

The canonical SMILES for 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid is C=CC(=O)O.CC(O)COC(C)COC(C)COC(C)COC(C)CO.

What is the InChIKey of 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid?

The InChIKey is CMFYFUADLDVJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6.C3H4O2/c1-11(17)7-18-13(3)9-20-15(5)10-21-14(4)8-19-12(2)6-16;1-2-3(4)5/h11-17H,6-10H2,1-5H3;2H,1H2,(H,4,5).

What are the key properties of 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid?

2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid has a molecular weight of 380.48 g/mol, XLogP of 1.24, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol;prop-2-enoic acid is sourced from PubChem (CID 87252519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).