UCSF

ZINC05768004

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 16 No

Popular Name: 1,3-Dimethyl-alpha-ionone; 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-; 1-Penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-; AI3-36128; BRN 2616019; Dimethylionone; LS-102210; alpha-Cyclocitrylidene-4-methylbutan-3-one 1,3-Dimethyl-alpha-ionone; 1-Pen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.66 9.16 -5.02 0 1 0 17 220.356 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0980237A1; EP0980238A1; US5874073; US5919440; WO1998050010A1; WO1998050011A1 IBM Patent Data

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