(2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one
PubChem CID: 24879120
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| Compound Synonyms | CHEMBL4207975 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C14H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SXDSHGDZANTXEL-WQYAIIHGSA-N |
| Fcsp3 | 0.6428571428571429 |
| Logs | -2.284 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.863 |
| Compound Name | (2E,4S,8R)-8-hydroxy-7-methylidene-4-propan-2-ylcyclodec-2-en-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 222.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6896335999999996 |
| Inchi | InChI=1S/C14H22O2/c1-10(2)12-5-4-11(3)14(16)9-8-13(15)7-6-12/h6-7,10,12,14,16H,3-5,8-9H2,1-2H3/b7-6+/t12-,14-/m1/s1 |
| Smiles | CC(C)[C@@H]\1CCC(=C)[C@@H](CCC(=O)/C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Sieversiana (Plant) Rel Props:Source_db:cmaup_ingredients