| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: 5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol 5-Methyl-2-(prop-1-en-2-yl)hex-4…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 58461-27-1 , 60169-72-4 , [58461-27-1]
(2S)-5-methyl-2-(1-methylethenyl)hex-4-en-1-ol
(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol
| 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) | 3.19 | 0.87 | -2.24 | 1 | 1 | 0 | 20 | 154.253 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0024473A2; EP0258666A2; EP0269987A2; EP0269987B1; EP0302424A1; EP0302424B1; EP0321853A1; EP0321853B1; EP0328937A2; EP0659721A1; EP0659721B1; EP0738030A1; EP0738030B1; EP0786247A1; EP0905115A1; EP0956859A1; EP1019444A1; EP1028697A2; US3700717; US3997577 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.