2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol

C13H28O7 — CID 86606253

IUPAC2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
SMILESCC(O)C(=O)O.COC(C)COC(C)COC(C)CO
InChIInChI=1S/C10H22O4.C3H6O3/c1-8(5-11)13-7-10(3)14-6-9(2)12-4;1-2(4)3(5)6/h8-11H,5-7H2,1-4H3;2,4H,1H3,(H,5,6)
InChIKeyJFOHBPUYLKJTIE-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.28
Rot. Bonds9

About 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol

2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol (PubChem CID 86606253) has the molecular formula C13H28O7 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
PubChem CID86606253
Molecular FormulaC13H28O7
Molecular Weight296.36 g/mol
Exact Mass296.18
IUPAC Name2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
SMILESCC(O)C(=O)O.COC(C)COC(C)COC(C)CO
InChIInChI=1S/C10H22O4.C3H6O3/c1-8(5-11)13-7-10(3)14-6-9(2)12-4;1-2(4)3(5)6/h8-11H,5-7H2,1-4H3;2,4H,1H3,(H,5,6)
InChIKeyJFOHBPUYLKJTIE-UHFFFAOYSA-N
XLogP0.28
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol (CID 86606253) is 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol is CC(O)C(=O)O.COC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol?
The InChIKey is JFOHBPUYLKJTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.C3H6O3/c1-8(5-11)13-7-10(3)14-6-9(2)12-4;1-2(4)3(5)6/h8-11H,5-7H2,1-4H3;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol?
2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol has a molecular weight of 296.36 g/mol, XLogP of 0.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 86606253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).