3-hydroxydecanoic acid

C10H20O3 — CID 26612

IUPAC3-hydroxydecanoic acid
SMILESCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyFYSSBMZUBSBFJL-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.18
Rot. Bonds8

About 3-hydroxydecanoic acid

3-hydroxydecanoic acid (PubChem CID 26612) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-hydroxydecanoic acid.

Molecular Properties

Compound Name3-hydroxydecanoic acid
PubChem CID26612
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-hydroxydecanoic acid
SMILESCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyFYSSBMZUBSBFJL-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-Hydroxystearic acid
CID 7789
Hydroxycaprylic Acid
CID 94180
10-Hydroxystearic Acid
CID 9561835
2-Hydroxytetradecanoic acid
CID 1563
10-Hydroxydecanoic Acid
CID 74300
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
12-Hydroxydodecanoic Acid
CID 79034
Ethyl 3-hydroxyoctanoate
CID 110975

Frequently Asked Questions

What is the IUPAC name of 3-hydroxydecanoic acid?
The IUPAC name of 3-hydroxydecanoic acid (CID 26612) is 3-hydroxydecanoic acid.
What is the SMILES notation for 3-hydroxydecanoic acid?
The canonical SMILES for 3-hydroxydecanoic acid is CCCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxydecanoic acid?
The InChIKey is FYSSBMZUBSBFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-hydroxydecanoic acid?
3-hydroxydecanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxydecanoic acid is sourced from PubChem (CID 26612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).