- InChI
- InChI=1S/C15H22O3/c1-10(2)7-15(17)8-11(3)6-13(15)14(16)12-4-5-18-9-12/h4-5,9-11,13,17H,6-8H2,1-3H3/t11-,13?,15-/m0/s1
- InChI Key
- UKXCRZBNQMXXFP-BJLZJLDMSA-N
- Formula
- C15H22O3
- SMILES
-
CC(C)CC1(O)CC(C)CC1C(=O)c1ccoc
1 - Molecular Weight1
- 250.33
- 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 | -8.18 | Crippen Calculated Property | |
| logPoct/wat | 3.286 | Crippen Calculated Property | |
| McVol | 205.200 | ml/mol | McGowan Calculated Property |
| Inp | [1803.00; 1803.00] |
|
|
| Inp | 1803.00 | NIST | |
| Inp | 1803.00 | NIST |
Similar Compounds
Find more compounds similar to Perillup ketol. TMS.
Sources
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