Cycloisolongifolene, 8,9-dehydro-
PubChem CID: 594593
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| Compound Synonyms | Cycloisolongifolene, 8,9-dehydro-, KRRPIPKRJIIGHL-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 | 387.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,5,11,11-tetramethyltetracyclo[6.2.1.01,6.06,10]undec-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRRPIPKRJIIGHL-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.231 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.52 |
| Compound Name | Cycloisolongifolene, 8,9-dehydro- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.986214199999999 |
| Inchi | InChI=1S/C15H22/c1-12(2)6-5-7-14-11-8-10(13(14,3)4)9-15(11,12)14/h5,7,10-11H,6,8-9H2,1-4H3 |
| Smiles | CC1(CC=CC23C14C2CC(C4)C3(C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients