1-hydroxyundecane-3,8-dione

C11H20O3 — CID 134266398

IUPAC1-hydroxyundecane-3,8-dione
SMILESCCCC(=O)CCCCC(=O)CCO
InChIInChI=1S/C11H20O3/c1-2-5-10(13)6-3-4-7-11(14)8-9-12/h12H,2-9H2,1H3
InChIKeyVGTKFUQXOOLDAZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.87
Rot. Bonds9

About 1-hydroxyundecane-3,8-dione

1-hydroxyundecane-3,8-dione (PubChem CID 134266398) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-hydroxyundecane-3,8-dione.

Molecular Properties

Compound Name1-hydroxyundecane-3,8-dione
PubChem CID134266398
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-hydroxyundecane-3,8-dione
SMILESCCCC(=O)CCCCC(=O)CCO
InChIInChI=1S/C11H20O3/c1-2-5-10(13)6-3-4-7-11(14)8-9-12/h12H,2-9H2,1H3
InChIKeyVGTKFUQXOOLDAZ-UHFFFAOYSA-N
XLogP1.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyundecane-3,8-dione?
The IUPAC name of 1-hydroxyundecane-3,8-dione (CID 134266398) is 1-hydroxyundecane-3,8-dione.
What is the SMILES notation for 1-hydroxyundecane-3,8-dione?
The canonical SMILES for 1-hydroxyundecane-3,8-dione is CCCC(=O)CCCCC(=O)CCO.
What is the InChIKey of 1-hydroxyundecane-3,8-dione?
The InChIKey is VGTKFUQXOOLDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-5-10(13)6-3-4-7-11(14)8-9-12/h12H,2-9H2,1H3.
What are the key properties of 1-hydroxyundecane-3,8-dione?
1-hydroxyundecane-3,8-dione has a molecular weight of 200.28 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyundecane-3,8-dione is sourced from PubChem (CID 134266398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).