1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane

C19H44O8 — CID 159503599

About 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane

1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane (PubChem CID 159503599) has the molecular formula C19H44O8 and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane.

Molecular Properties

• Compound Name: 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane
• PubChem CID: 159503599
• Molecular Formula: C19H44O8
• Molecular Weight: 400.55 g/mol
• Exact Mass: 400.30
• IUPAC Name: 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane
• SMILES: C.CC(O)COCC(C)O.CC(O)COCC(C)OCC(C)O.CC1CO1
• InChI: InChI=1S/C9H20O4.C6H14O3.C3H6O.CH4/c1-7(10)4-12-6-9(3)13-5-8(2)11;1-5(7)3-9-4-6(2)8;1-3-2-4-3;/h7-11H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;3H,2H2,1H3;1H4
• InChIKey: LZRWBAIXYRVFKQ-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 121.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.55
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane?

The IUPAC name of 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane (CID 159503599) is 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane.

What is the SMILES notation for 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane?

The canonical SMILES for 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane is C.CC(O)COCC(C)O.CC(O)COCC(C)OCC(C)O.CC1CO1.

What is the InChIKey of 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane?

The InChIKey is LZRWBAIXYRVFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C6H14O3.C3H6O.CH4/c1-7(10)4-12-6-9(3)13-5-8(2)11;1-5(7)3-9-4-6(2)8;1-3-2-4-3;/h7-11H,4-6H2,1-3H3;5-8H,3-4H2,1-2H3;3H,2H2,1H3;1H4.

What are the key properties of 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane?

1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane has a molecular weight of 400.55 g/mol, XLogP of 0.98, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxypropoxy)propan-2-ol;1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol;methane;2-methyloxirane is sourced from PubChem (CID 159503599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).