UCSF

ZINC01687031

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 9 Yes

Popular Name: 2,5-Dimethyl-2-hexanol 2,5-Dimethyl-2-hexanol

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CAS Number: 3730-60-7

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) 2.41 -0.1 -1.95 1 1 0 20 130.231 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 155-156? Alfa-Aesar
Boiling_Point 155-156° Alfa-Aesar
BP 74 / 20.3 TCI

Activity (Go SEA)

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