9-hydroxydecanoic acid

C10H20O3 — CID 4575239

IUPAC9-hydroxydecanoic acid
SMILESCC(O)CCCCCCCC(=O)O
InChIInChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyUOQXHXSPGSKEGI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.18
Rot. Bonds8

About 9-hydroxydecanoic acid

9-hydroxydecanoic acid (PubChem CID 4575239) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 9-hydroxydecanoic acid.

Molecular Properties

Compound Name9-hydroxydecanoic acid
PubChem CID4575239
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name9-hydroxydecanoic acid
SMILESCC(O)CCCCCCCC(=O)O
InChIInChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyUOQXHXSPGSKEGI-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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Frequently Asked Questions

What is the IUPAC name of 9-hydroxydecanoic acid?
The IUPAC name of 9-hydroxydecanoic acid (CID 4575239) is 9-hydroxydecanoic acid.
What is the SMILES notation for 9-hydroxydecanoic acid?
The canonical SMILES for 9-hydroxydecanoic acid is CC(O)CCCCCCCC(=O)O.
What is the InChIKey of 9-hydroxydecanoic acid?
The InChIKey is UOQXHXSPGSKEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 9-hydroxydecanoic acid?
9-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 9-hydroxydecanoic acid is sourced from PubChem (CID 4575239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).