Santolina epoxide
PubChem CID: 565371
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| Compound Synonyms | Santolina epoxide, SCHEMBL14034245, HJAZNDMKYXLLQQ-UHFFFAOYSA-N, 2-Methyl-2-(3-methyl-1-vinyl-2-butenyl)oxirane # |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 189.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-2-(5-methylhexa-1,4-dien-3-yl)oxirane |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HJAZNDMKYXLLQQ-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.747 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.825 |
| Compound Name | Santolina epoxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2679693999999997 |
| Inchi | InChI=1S/C10H16O/c1-5-9(6-8(2)3)10(4)7-11-10/h5-6,9H,1,7H2,2-4H3 |
| Smiles | CC(=CC(C=C)C1(CO1)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients