UCSF

ZINC01699553

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 8 Yes

Popular Name: 2,5-DIMETHYLHEXANE 2,5-DIMETHYLHEXANE

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CAS Number: 592-13-2

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) 3.62 6.28 0.08 0 0 0 0 114.232 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 107-108? Alfa-Aesar
Boiling_Point 107-108° Alfa-Aesar
BP 109 TCI

Activity (Go SEA)

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