Hydroxycaprylic Acid

C8H16O3 — CID 94180

IUPAC2-hydroxyoctanoic acid
SMILESCCCCCCC(C(=O)O)O
InChIInChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyJKRDADVRIYVCCY-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.00
Rot. Bonds6

About Hydroxycaprylic Acid

Hydroxycaprylic Acid (PubChem CID 94180) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-hydroxyoctanoic acid.

Molecular Properties

Compound NameHydroxycaprylic Acid
PubChem CID94180
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-hydroxyoctanoic acid
SMILESCCCCCCC(C(=O)O)O
InChIInChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyJKRDADVRIYVCCY-UHFFFAOYSA-N
XLogP2.00
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity112

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12-Hydroxystearic acid
CID 7789
Glyceryl 1-monooctanoate
CID 3033877
1-Decanoylglycerol
CID 92926
Monolaurin
CID 14871
10-Hydroxystearic Acid
CID 9561835
2-Hydroxytetradecanoic acid
CID 1563
Methyl 12-hydroxystearate
CID 8840
(R)-3-hydroxytetradecanoic acid
CID 5288266
(+-)-3-Hydroxydodecanoic acid
CID 94216
(3S)-3-hydroxyoctanoic acid
CID 11367166
2-Hydroxydecanoic Acid
CID 21488
3-Hydroxydecanoic acid
CID 26612

Frequently Asked Questions

What is the IUPAC name of Hydroxycaprylic Acid?
The IUPAC name of Hydroxycaprylic Acid (CID 94180) is 2-hydroxyoctanoic acid.
What is the SMILES notation for Hydroxycaprylic Acid?
The canonical SMILES for Hydroxycaprylic Acid is CCCCCCC(C(=O)O)O.
What is the InChIKey of Hydroxycaprylic Acid?
The InChIKey is JKRDADVRIYVCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of Hydroxycaprylic Acid?
Hydroxycaprylic Acid has a molecular weight of 160.21 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Hydroxycaprylic Acid is sourced from PubChem (CID 94180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).