Longifolene-I2
PubChem CID: 565079
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| Compound Synonyms | Longifolene-I2, JUHRSPWNQHCFEL-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethyl-7-prop-1-en-2-yltricyclo[5.2.1.03,8]decane |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JUHRSPWNQHCFEL-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.003 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.324 |
| Compound Name | Longifolene-I2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6635134 |
| Inchi | InChI=1S/C15H24/c1-10(2)15-7-5-6-14(4)11(3)12(9-15)8-13(14)15/h11-13H,1,5-9H2,2-4H3 |
| Smiles | CC1C2CC3C1(CCCC3(C2)C(=C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients