2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid

C13H29O10P — CID 172679706

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid (PubChem CID 172679706) has the molecular formula C13H29O10P and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid
• PubChem CID: 172679706
• Molecular Formula: C13H29O10P
• Molecular Weight: 376.34 g/mol
• Exact Mass: 376.15
• IUPAC Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid
• SMILES: C=CC(=O)OC.CC(O)COC(C)COC(C)CO.O=P(O)(O)O
• InChI: InChI=1S/C9H20O4.C4H6O2.H3O4P/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-4(5)6-2;1-5(2,3)4/h7-11H,4-6H2,1-3H3;3H,1H2,2H3;(H3,1,2,3,4)
• InChIKey: AFNMOVJUXCHDNX-UHFFFAOYSA-N
• XLogP: -0.41
• TPSA: 162.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.34
LogP ≤ 5	-0.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid (CID 172679706) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid.

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

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

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

The InChIKey is AFNMOVJUXCHDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C4H6O2.H3O4P/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-4(5)6-2;1-5(2,3)4/h7-11H,4-6H2,1-3H3;3H,1H2,2H3;(H3,1,2,3,4).

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

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid has a molecular weight of 376.34 g/mol, XLogP of -0.41, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;methyl prop-2-enoate;phosphoric acid is sourced from PubChem (CID 172679706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).