- InChI
- InChI=1S/C18H31NO6/c1-5-11(2)16(21)25-12(3)18(4,23)17(22)24-10-13-6-8-19-9-7-14(20)15(13)19/h11-15,20,23H,5-10H2,1-4H3/t11?,12?,13-,14-,15?,18?/m0/s1
- InChI Key
- QGMFKSHYVNTQIZ-BWRXIOTISA-N
- Formula
- C18H31NO6
- SMILES
-
CCC(C)C(=O)OC(C)C(C)(O)C(=O)OC
C1CCN2CCC(O)C12 - Molecular Weight1
- 357.44
- 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 | -1.93 | Crippen Calculated Property | |
| logPoct/wat | 0.714 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Inp | 2327.00 | NIST |
Similar Compounds
Find more compounds similar to Isoipanguline D10.
Sources
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