UCSF

ZINC01577479

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 Yes

Popular Name: 4-(tert-Pentyl)cyclohexanone 4-(tert-Pentyl)cyclohexanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 16587-71-6 , [16587-71-6]

Download: MOL2 SDF SMILES Flexibase

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) 2.83 2.29 -4.09 0 1 0 17 168.28 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 124-125?/16mm Alfa-Aesar
Boiling_Point 124-125°/16mm Alfa-Aesar
MP 24 - 25 Enamine Building Blocks
MP 24...25 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )