5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid

C11H20O5 — CID 141161540

IUPAC5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid
SMILESCCCC(C)OC(=O)C(O)CCCC(=O)O
InChIInChI=1S/C11H20O5/c1-3-5-8(2)16-11(15)9(12)6-4-7-10(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyNJICZOZNPTXSPN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.33
Rot. Bonds8

About 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid

5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid (PubChem CID 141161540) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid
PubChem CID141161540
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid
SMILESCCCC(C)OC(=O)C(O)CCCC(=O)O
InChIInChI=1S/C11H20O5/c1-3-5-8(2)16-11(15)9(12)6-4-7-10(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyNJICZOZNPTXSPN-UHFFFAOYSA-N
XLogP1.33
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pentan-2-yl (2S)-4-amino-2-hydroxybutanoate
CID 107837685
4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid
CID 141161534
5-hydroxy-6-oxononanoic acid
CID 175275430
pentan-2-yl (2R)-2-amino-3-methylbutanoate
CID 102982424
(5R)-5-acetyloxyhexanoic acid
CID 87649956
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
5-pentadecanoyloxyhexanoic acid
CID 138134299
2-(2-hydroxyhexanoyloxy)pentanoic acid
CID 18760379
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
4-O-ethyl 1-O-hexan-2-yl 2-hydroxybutanedioate
CID 174961620
6-butan-2-yloxy-5-ethoxy-6-oxohexanoic acid
CID 141161508

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid?
The IUPAC name of 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid (CID 141161540) is 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid?
The canonical SMILES for 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid is CCCC(C)OC(=O)C(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid?
The InChIKey is NJICZOZNPTXSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-5-8(2)16-11(15)9(12)6-4-7-10(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid?
5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid is sourced from PubChem (CID 141161540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).