UCSF

ZINC02026704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Popular Name: 3,5,5-Trimethyl-1-hexanol 3,5,5-Trimethyl-1-hexanol

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CAS Numbers: 27458-94-2 , 3452-97-9 , [3452-97-9]

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) 2.67 -0.08 -2.35 1 1 0 20 144.258 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 193 TCI
Purity 85% Fluorochem
Purity 95% Fluorochem

Activity (Go SEA)

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