5-(2-hydroxypropoxy)-5-oxopentanoic acid

C8H14O5 — CID 88687077

IUPAC5-(2-hydroxypropoxy)-5-oxopentanoic acid
SMILESCC(O)COC(=O)CCCC(=O)O
InChIInChI=1S/C8H14O5/c1-6(9)5-13-8(12)4-2-3-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyCCJYKWAVHSXICL-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.17
Rot. Bonds6

About 5-(2-hydroxypropoxy)-5-oxopentanoic acid

5-(2-hydroxypropoxy)-5-oxopentanoic acid (PubChem CID 88687077) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 5-(2-hydroxypropoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-hydroxypropoxy)-5-oxopentanoic acid
PubChem CID88687077
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name5-(2-hydroxypropoxy)-5-oxopentanoic acid
SMILESCC(O)COC(=O)CCCC(=O)O
InChIInChI=1S/C8H14O5/c1-6(9)5-13-8(12)4-2-3-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyCCJYKWAVHSXICL-UHFFFAOYSA-N
XLogP0.17
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-hydroxypropoxy)-6-oxohexanoic acid;propane-1,2-diol
CID 87972494
2-hydroxypropyl tricosanoate
CID 102118698
[(2R)-2-hydroxypropyl] dodecanoate
CID 73416019
6-[5,5-dihydroxy-2-(2-hydroxypropoxy)pentoxy]-6-oxohexanoic acid
CID 87104958
3-(2-hydroxypropoxy)-3-oxopropanoic acid
CID 58952816
5-(2,6-dimethyloctoxy)-5-oxopentanoic acid
CID 166045696
2-hydroxypropyl 3-sulfanylpropanoate
CID 87339203
5-oxo-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentoxy]pentanoic acid
CID 87196720
5-ethoxy-5-oxopentanoic acid;pentanedioic acid
CID 161278417
8-(2,3-dihydroxypropoxy)-8-oxooctanoic acid
CID 51136413
2-(2-hydroxypropoxy)propan-1-ol;pentanedioic acid
CID 135332889
4-(4-hydroxypentanoyloxy)butanoic acid
CID 57030364

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropoxy)-5-oxopentanoic acid?
The IUPAC name of 5-(2-hydroxypropoxy)-5-oxopentanoic acid (CID 88687077) is 5-(2-hydroxypropoxy)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-hydroxypropoxy)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-hydroxypropoxy)-5-oxopentanoic acid is CC(O)COC(=O)CCCC(=O)O.
What is the InChIKey of 5-(2-hydroxypropoxy)-5-oxopentanoic acid?
The InChIKey is CCJYKWAVHSXICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-6(9)5-13-8(12)4-2-3-7(10)11/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 5-(2-hydroxypropoxy)-5-oxopentanoic acid?
5-(2-hydroxypropoxy)-5-oxopentanoic acid has a molecular weight of 190.19 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropoxy)-5-oxopentanoic acid is sourced from PubChem (CID 88687077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).