Bicyclo[4.1.0]-3-heptene, 2-isopropenyl-5-isopropyl-7,7-dimethyl-
PubChem CID: 535349
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| Compound Synonyms | NOSXMNCFISXUAE-UHFFFAOYSA-N, Bicyclo[4.1.0]-3-heptene, 2-isopropenyl-5-isopropyl-7,7-dimethyl-, 2-Isopropenyl-5-isopropyl-7,7-dimethylbicyclo[4.1.0]hept-3-ene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,7-dimethyl-2-propan-2-yl-5-prop-1-en-2-ylbicyclo[4.1.0]hept-3-ene |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOSXMNCFISXUAE-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.754 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.86 |
| Compound Name | Bicyclo[4.1.0]-3-heptene, 2-isopropenyl-5-isopropyl-7,7-dimethyl- |
| 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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2573134 |
| Inchi | InChI=1S/C15H24/c1-9(2)11-7-8-12(10(3)4)14-13(11)15(14,5)6/h7-8,10-14H,1H2,2-6H3 |
| Smiles | CC(C)C1C=CC(C2C1C2(C)C)C(=C)C |
| Nring | 2.0 |
| 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