4-hydroxyoctanoic acid

C16H32O6 — CID 159216758

IUPAC4-hydroxyoctanoic acid
SMILESCCCCC(O)CCC(=O)O.CCCCC(O)CCC(=O)O
InChIInChI=1S/2C8H16O3/c2*1-2-3-4-7(9)5-6-8(10)11/h2*7,9H,2-6H2,1H3,(H,10,11)
InChIKeyKREBQLSSMABGPB-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.80
Rot. Bonds12

About 4-hydroxyoctanoic acid

4-hydroxyoctanoic acid (PubChem CID 159216758) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-hydroxyoctanoic acid.

Molecular Properties

Compound Name4-hydroxyoctanoic acid
PubChem CID159216758
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Name4-hydroxyoctanoic acid
SMILESCCCCC(O)CCC(=O)O.CCCCC(O)CCC(=O)O
InChIInChI=1S/2C8H16O3/c2*1-2-3-4-7(9)5-6-8(10)11/h2*7,9H,2-6H2,1H3,(H,10,11)
InChIKeyKREBQLSSMABGPB-UHFFFAOYSA-N
XLogP2.80
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxyhexadecanoic acid
CID 5282904
21-hydroxypentacosanoic acid
CID 169277058
(4S,12S)-4,12-dihydroxypentadecanoic acid
CID 163083389
5-hydroxydecanoic acid
CID 161390265
(5S)-5-hydroxydecanoic acid
CID 6604110
acetic acid;nonan-5-ol
CID 53445479
(8S)-8-hydroxytetradecanoic acid
CID 123133458
13-hydroxyoctadecanoic acid
CID 5282911
14-hydroxypentacosanoic acid
CID 169276940
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
pentanoic acid;tetracosan-11-ol
CID 175196801

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyoctanoic acid?
The IUPAC name of 4-hydroxyoctanoic acid (CID 159216758) is 4-hydroxyoctanoic acid.
What is the SMILES notation for 4-hydroxyoctanoic acid?
The canonical SMILES for 4-hydroxyoctanoic acid is CCCCC(O)CCC(=O)O.CCCCC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxyoctanoic acid?
The InChIKey is KREBQLSSMABGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O3/c2*1-2-3-4-7(9)5-6-8(10)11/h2*7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of 4-hydroxyoctanoic acid?
4-hydroxyoctanoic acid has a molecular weight of 320.43 g/mol, XLogP of 2.80, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyoctanoic acid is sourced from PubChem (CID 159216758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).