2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide)

C15H30N2O6 — CID 174995631

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide)

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide) (PubChem CID 174995631) has the molecular formula C15H30N2O6 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide).

Molecular Properties

• Compound Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide)
• PubChem CID: 174995631
• Molecular Formula: C15H30N2O6
• Molecular Weight: 334.41 g/mol
• Exact Mass: 334.21
• IUPAC Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide)
• SMILES: C=CC(N)=O.C=CC(N)=O.CC(O)COC(C)COC(C)CO
• InChI: InChI=1S/C9H20O4.2C3H5NO/c1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-2-3(4)5/h7-11H,4-6H2,1-3H3;2*2H,1H2,(H2,4,5)
• InChIKey: MZKSLZYUSWUITH-UHFFFAOYSA-N
• XLogP: -0.51
• TPSA: 145.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.41
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

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-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide)?

The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide) (CID 174995631) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide).

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

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

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

The InChIKey is MZKSLZYUSWUITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.2C3H5NO/c1-7(11)5-12-9(3)6-13-8(2)4-10;2*1-2-3(4)5/h7-11H,4-6H2,1-3H3;2*2H,1H2,(H2,4,5).

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

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide) has a molecular weight of 334.41 g/mol, XLogP of -0.51, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide) is sourced from PubChem (CID 174995631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).