| Name: | (-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene |
| Synonyms: | (-)-Limonene;(-)-(S)-Limonene;(-)-(4S)-Limonene;5989-54-8;C00521;(4S)-4-isopropenyl-1-methyl-cyclohexene;(4S)-1-methyl-4-prop-1-en-2-yl-cyclohexene;(4S)-1-methyl-4-(1-methylethenyl)cyclohexene;4-Isopropenyl-1-methyl-1-cyclohexene;L-Limonene;Limonene;d-Limonene |
| Molecular Weight: | 136.23404 |
| Formula: | C10H16 |
| CAS: | 5989-54-8 |
| Isomeric SMILES: | CC1=CC[C@H](CC1)C(=C)C |
| Canonical SMILES: | CC1=CCC(CC1)C(=C)C |
| InChI: | InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1 |
| Experimental Water Solubility: | |
| Predicted Water Solubility: | 0.00315 mg/mL at 25 oC [MEYLAN,WM et al. (1996)]; 0.45 mg/mL [Predicted by ALOGPS] |
| Experimental LogP(octanol-water): | 4.38 [GRIFFIN,S ET AL. (1999)] |
| Predicted LogP(octanol-water): | 4.50 [Predicted by ALOGPS]; 3.7 [Predicted by PubChem via XLOGP] |
