- InChI
- InChI=1S/C18H23NO5/c1-4-11-9-17(2)18(3,24-17)16(21)22-10-12-5-7-19-8-6-13(14(12)19)23-15(11)20/h4-5,13-14H,6-10H2,1-3H3/b11-4-/t13-,14-,17+,18+/m0/s1
- InChI Key
- XYLHTQLSMWVEML-LCLHOKOMSA-N
- Formula
- C18H23NO5
- SMILES
-
CC=C1CC2(C)OC2(C)C(=O)OCC2=CCN
3CCC(OC1=O)C23 - Molecular Weight1
- 333.38
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.47 | Crippen Calculated Property | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 243.170 | ml/mol | McGowan Calculated Property |
| Inp | 2542.00 | NIST |
Similar Compounds
Find more compounds similar to (Z)-Erucifoline.
Sources
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