2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol

C17H38O6 — CID 158532131

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol (PubChem CID 158532131) has the molecular formula C17H38O6 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol
• PubChem CID: 158532131
• Molecular Formula: C17H38O6
• Molecular Weight: 338.49 g/mol
• Exact Mass: 338.27
• IUPAC Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol
• SMILES: CC(C)C(O)C(C)(C)CO.CC(O)COC(C)COC(C)CO
• InChI: InChI=1S/C9H20O4.C8H18O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-6(2)7(10)8(3,4)5-9/h7-11H,4-6H2,1-3H3;6-7,9-10H,5H2,1-4H3
• InChIKey: HNMRBHOXTCLRKL-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 99.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.49
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol?

The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol (CID 158532131) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol.

What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol?

The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol is CC(C)C(O)C(C)(C)CO.CC(O)COC(C)COC(C)CO.

What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol?

The InChIKey is HNMRBHOXTCLRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C8H18O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-6(2)7(10)8(3,4)5-9/h7-11H,4-6H2,1-3H3;6-7,9-10H,5H2,1-4H3.

What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol?

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2,2,4-trimethylpentane-1,3-diol has a molecular weight of 338.49 g/mol, XLogP of 1.19, 10 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;2,2,4-trimethylpentane-1,3-diol is sourced from PubChem (CID 158532131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).