2-hydroxyundecanoic acid

C11H22O3 — CID 5282899

IUPAC2-hydroxyundecanoic acid
SMILESCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyMNRBGFKCVTVNBA-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.57
Rot. Bonds9

About 2-hydroxyundecanoic acid

2-hydroxyundecanoic acid (PubChem CID 5282899) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-hydroxyundecanoic acid.

Molecular Properties

Compound Name2-hydroxyundecanoic acid
PubChem CID5282899
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-hydroxyundecanoic acid
SMILESCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyMNRBGFKCVTVNBA-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.57
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 2-hydroxyundecanoic acid?
The IUPAC name of 2-hydroxyundecanoic acid (CID 5282899) is 2-hydroxyundecanoic acid.
What is the SMILES notation for 2-hydroxyundecanoic acid?
The canonical SMILES for 2-hydroxyundecanoic acid is CCCCCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxyundecanoic acid?
The InChIKey is MNRBGFKCVTVNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-hydroxyundecanoic acid?
2-hydroxyundecanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyundecanoic acid is sourced from PubChem (CID 5282899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).