2-ethyl-3-hydroxyhexanoic acid

C8H16O3 — CID 22157349

IUPAC2-ethyl-3-hydroxyhexanoic acid
SMILESCCCC(O)C(CC)C(=O)O
InChIInChI=1S/C8H16O3/c1-3-5-7(9)6(4-2)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyZQWVBNYTPYVDQZ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds5

About 2-ethyl-3-hydroxyhexanoic acid

2-ethyl-3-hydroxyhexanoic acid (PubChem CID 22157349) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-ethyl-3-hydroxyhexanoic acid.

Molecular Properties

Compound Name2-ethyl-3-hydroxyhexanoic acid
PubChem CID22157349
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-ethyl-3-hydroxyhexanoic acid
SMILESCCCC(O)C(CC)C(=O)O
InChIInChI=1S/C8H16O3/c1-3-5-7(9)6(4-2)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyZQWVBNYTPYVDQZ-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxyhexanoic acid?
The IUPAC name of 2-ethyl-3-hydroxyhexanoic acid (CID 22157349) is 2-ethyl-3-hydroxyhexanoic acid.
What is the SMILES notation for 2-ethyl-3-hydroxyhexanoic acid?
The canonical SMILES for 2-ethyl-3-hydroxyhexanoic acid is CCCC(O)C(CC)C(=O)O.
What is the InChIKey of 2-ethyl-3-hydroxyhexanoic acid?
The InChIKey is ZQWVBNYTPYVDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-5-7(9)6(4-2)8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-ethyl-3-hydroxyhexanoic acid?
2-ethyl-3-hydroxyhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxyhexanoic acid is sourced from PubChem (CID 22157349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).