UCSF

ZINC05225057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 10 Yes

Popular Name: Ethyl 3-methylvalerate Ethyl 3-methylvalerate

Find On: PubMed — Wikipedia — Google

CAS Number: 5870-68-8

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) 2.14 2.83 -4.28 0 2 0 26 144.214 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 158 TCI
Boiling_Point 158? Alfa-Aesar
Boiling_Point 158° Alfa-Aesar
PUBCHEM_PATENT_ID EP0912505A1; US6133319; WO1997049680A1 IBM Patent Data

Activity (Go SEA)

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