7-hydroxy-6,7-dimethylnon-1-en-5-one

C11H20O2 — CID 71391777

IUPAC7-hydroxy-6,7-dimethylnon-1-en-5-one
SMILESC=CCCC(=O)C(C)C(C)(O)CC
InChIInChI=1S/C11H20O2/c1-5-7-8-10(12)9(3)11(4,13)6-2/h5,9,13H,1,6-8H2,2-4H3
InChIKeyZPMPUQVXWASEEK-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds6

About 7-hydroxy-6,7-dimethylnon-1-en-5-one

7-hydroxy-6,7-dimethylnon-1-en-5-one (PubChem CID 71391777) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-hydroxy-6,7-dimethylnon-1-en-5-one.

Molecular Properties

Compound Name7-hydroxy-6,7-dimethylnon-1-en-5-one
PubChem CID71391777
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name7-hydroxy-6,7-dimethylnon-1-en-5-one
SMILESC=CCCC(=O)C(C)C(C)(O)CC
InChIInChI=1S/C11H20O2/c1-5-7-8-10(12)9(3)11(4,13)6-2/h5,9,13H,1,6-8H2,2-4H3
InChIKeyZPMPUQVXWASEEK-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6,7-dimethylnon-1-en-5-one?
The IUPAC name of 7-hydroxy-6,7-dimethylnon-1-en-5-one (CID 71391777) is 7-hydroxy-6,7-dimethylnon-1-en-5-one.
What is the SMILES notation for 7-hydroxy-6,7-dimethylnon-1-en-5-one?
The canonical SMILES for 7-hydroxy-6,7-dimethylnon-1-en-5-one is C=CCCC(=O)C(C)C(C)(O)CC.
What is the InChIKey of 7-hydroxy-6,7-dimethylnon-1-en-5-one?
The InChIKey is ZPMPUQVXWASEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-7-8-10(12)9(3)11(4,13)6-2/h5,9,13H,1,6-8H2,2-4H3.
What are the key properties of 7-hydroxy-6,7-dimethylnon-1-en-5-one?
7-hydroxy-6,7-dimethylnon-1-en-5-one has a molecular weight of 184.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6,7-dimethylnon-1-en-5-one is sourced from PubChem (CID 71391777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).