6-hydroxy-5-methyl-4,11-dioxoundecanoic acid

C12H20O5 — CID 24847855

IUPAC6-hydroxy-5-methyl-4,11-dioxoundecanoic acid
SMILESCC(C(=O)CCC(=O)O)C(O)CCCCC=O
InChIInChI=1S/C12H20O5/c1-9(11(15)6-7-12(16)17)10(14)5-3-2-4-8-13/h8-10,14H,2-7H2,1H3,(H,16,17)
InChIKeyAZUZXOSWBOBCJY-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.18
Rot. Bonds10

About 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid

6-hydroxy-5-methyl-4,11-dioxoundecanoic acid (PubChem CID 24847855) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid.

Molecular Properties

Compound Name6-hydroxy-5-methyl-4,11-dioxoundecanoic acid
PubChem CID24847855
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name6-hydroxy-5-methyl-4,11-dioxoundecanoic acid
SMILESCC(C(=O)CCC(=O)O)C(O)CCCCC=O
InChIInChI=1S/C12H20O5/c1-9(11(15)6-7-12(16)17)10(14)5-3-2-4-8-13/h8-10,14H,2-7H2,1H3,(H,16,17)
InChIKeyAZUZXOSWBOBCJY-UHFFFAOYSA-N
XLogP1.18
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid?
The IUPAC name of 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid (CID 24847855) is 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid.
What is the SMILES notation for 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid?
The canonical SMILES for 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid is CC(C(=O)CCC(=O)O)C(O)CCCCC=O.
What is the InChIKey of 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid?
The InChIKey is AZUZXOSWBOBCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-9(11(15)6-7-12(16)17)10(14)5-3-2-4-8-13/h8-10,14H,2-7H2,1H3,(H,16,17).
What are the key properties of 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid?
6-hydroxy-5-methyl-4,11-dioxoundecanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-4,11-dioxoundecanoic acid is sourced from PubChem (CID 24847855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).