Z-5-Methyl-6-heneicosen-11-one
PubChem CID: 5363254
Connections displayed (default: 10).
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| Compound Synonyms | Z-5-Methyl-6-heneicosen-11-one, SCHEMBL19971735, YVHMYAXTGNQAFL-JXAWBTAJSA-N, (6Z)-5-Methyl-6-henicosen-11-one # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-5-methylhenicos-6-en-11-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.6 |
| Molecular Formula | C22H42O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVHMYAXTGNQAFL-JXAWBTAJSA-N |
| Fcsp3 | 0.8636363636363636 |
| Logs | 0.066 |
| Rotatable Bond Count | 17.0 |
| Logd | -2.036 |
| Compound Name | Z-5-Methyl-6-heneicosen-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.324 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 322.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.123377400000001 |
| Inchi | InChI=1S/C22H42O/c1-4-6-8-9-10-11-12-15-19-22(23)20-16-13-14-18-21(3)17-7-5-2/h14,18,21H,4-13,15-17,19-20H2,1-3H3/b18-14- |
| Smiles | CCCCCCCCCCC(=O)CCC/C=C\C(C)CCCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients