Neoisolongifolene-8-ol
PubChem CID: 596452
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| Compound Synonyms | Neoisolongifolene-8-ol, RJQXTBGTCWRVIX-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,5,11,11-tetramethyltricyclo[6.2.1.01,6]undec-6-en-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RJQXTBGTCWRVIX-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.847 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.596 |
| Compound Name | Neoisolongifolene-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3419071999999996 |
| Inchi | InChI=1S/C15H24O/c1-13(2)7-6-12(16)15-8-5-10(9-11(13)15)14(15,3)4/h9-10,12,16H,5-8H2,1-4H3 |
| Smiles | CC1(CCC(C23C1=CC(C2(C)C)CC3)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abrus Pulchellus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Centranthus Longiflorus (Plant) Rel Props:Source_db:cmaup_ingredients