UCSF

ZINC01850413

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 10 Yes

Popular Name: Ethyl 2-methyl-4-pentenoate Ethyl 2-methyl-4-pentenoate

Find On: PubMed — Wikipedia — Google

CAS Number: 53399-81-8

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) 2.21 3.18 -4.14 0 2 0 26 142.198 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 153-155? Alfa-Aesar
Boiling_Point 153-155° Alfa-Aesar
BP 155 TCI

Activity (Go SEA)

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