2-ethyl-2-hydroxyhexanoic acid

C8H16O3 — CID 20700530

IUPAC2-ethyl-2-hydroxyhexanoic acid
SMILESCCCCC(O)(CC)C(=O)O
InChIInChI=1S/C8H16O3/c1-3-5-6-8(11,4-2)7(9)10/h11H,3-6H2,1-2H3,(H,9,10)
InChIKeyKSHXTPINHVBHGH-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.40
Rot. Bonds5

About 2-ethyl-2-hydroxyhexanoic acid

2-ethyl-2-hydroxyhexanoic acid (PubChem CID 20700530) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-ethyl-2-hydroxyhexanoic acid.

Molecular Properties

Compound Name2-ethyl-2-hydroxyhexanoic acid
PubChem CID20700530
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-ethyl-2-hydroxyhexanoic acid
SMILESCCCCC(O)(CC)C(=O)O
InChIInChI=1S/C8H16O3/c1-3-5-6-8(11,4-2)7(9)10/h11H,3-6H2,1-2H3,(H,9,10)
InChIKeyKSHXTPINHVBHGH-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
2-ethyl-2-hydroxyhexanamide
CID 18943167
2-hydroxy-2-pentylheptanoic acid
CID 18462857
2-hydroxy-2-pentyloctanoic acid
CID 18462834
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
3-butyl-3-hydroxyheptan-2-one
CID 11521205
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
bis(2-ethyl-2-hydroxybutanoic acid);oxochromium
CID 10991103
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
pentane-1,1,1-tricarboxylic acid
CID 19386814
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxyhexanoic acid?
The IUPAC name of 2-ethyl-2-hydroxyhexanoic acid (CID 20700530) is 2-ethyl-2-hydroxyhexanoic acid.
What is the SMILES notation for 2-ethyl-2-hydroxyhexanoic acid?
The canonical SMILES for 2-ethyl-2-hydroxyhexanoic acid is CCCCC(O)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-hydroxyhexanoic acid?
The InChIKey is KSHXTPINHVBHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-6-8(11,4-2)7(9)10/h11H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-ethyl-2-hydroxyhexanoic acid?
2-ethyl-2-hydroxyhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxyhexanoic acid is sourced from PubChem (CID 20700530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).