4-hydroxy-2,8-dimethylnonane-3,7-dione

C11H20O3 — CID 58193316

IUPAC4-hydroxy-2,8-dimethylnonane-3,7-dione
SMILESCC(C)C(=O)CCC(O)C(=O)C(C)C
InChIInChI=1S/C11H20O3/c1-7(2)9(12)5-6-10(13)11(14)8(3)4/h7-8,10,13H,5-6H2,1-4H3
InChIKeyJERXMYXDRSFGIV-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.58
Rot. Bonds6

About 4-hydroxy-2,8-dimethylnonane-3,7-dione

4-hydroxy-2,8-dimethylnonane-3,7-dione (PubChem CID 58193316) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-hydroxy-2,8-dimethylnonane-3,7-dione.

Molecular Properties

Compound Name4-hydroxy-2,8-dimethylnonane-3,7-dione
PubChem CID58193316
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-hydroxy-2,8-dimethylnonane-3,7-dione
SMILESCC(C)C(=O)CCC(O)C(=O)C(C)C
InChIInChI=1S/C11H20O3/c1-7(2)9(12)5-6-10(13)11(14)8(3)4/h7-8,10,13H,5-6H2,1-4H3
InChIKeyJERXMYXDRSFGIV-UHFFFAOYSA-N
XLogP1.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,8-dimethylnonane-3,7-dione?
The IUPAC name of 4-hydroxy-2,8-dimethylnonane-3,7-dione (CID 58193316) is 4-hydroxy-2,8-dimethylnonane-3,7-dione.
What is the SMILES notation for 4-hydroxy-2,8-dimethylnonane-3,7-dione?
The canonical SMILES for 4-hydroxy-2,8-dimethylnonane-3,7-dione is CC(C)C(=O)CCC(O)C(=O)C(C)C.
What is the InChIKey of 4-hydroxy-2,8-dimethylnonane-3,7-dione?
The InChIKey is JERXMYXDRSFGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)9(12)5-6-10(13)11(14)8(3)4/h7-8,10,13H,5-6H2,1-4H3.
What are the key properties of 4-hydroxy-2,8-dimethylnonane-3,7-dione?
4-hydroxy-2,8-dimethylnonane-3,7-dione has a molecular weight of 200.28 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,8-dimethylnonane-3,7-dione is sourced from PubChem (CID 58193316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).