Bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene-
PubChem CID: 595137
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| Compound Synonyms | Bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene-, FTSINDMZMFBWFS-UHFFFAOYSA-N, 2-Isopropyl-5-methyl-9-methylene-bicyclo-1-decene(4.4.0), 2-isopropyl-5-methyl-9-methylene-bicyclo[4.4.0]dec-1-ene, 2-Isopropyl-5-methyl-9-methylenebicyclo[4.4.0]dec-1-ene, 8-Isopropyl-5-methyl-2-methylene-1,2,3,4,4a,5,6,7-octahydronaphthalene, 8-Isopropyl-5-methyl-2-methylene-1,2,3,4,4a,5,6,7-octahydronaphthalene # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCCC2C1 |
| Np Classifier Class | Guaiane sesquiterpenoids |
| Deep Smiles | C=CCCCC=CCCC6C))))CC)C)))C6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCC2CCCCC2C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-6-methylidene-4-propan-2-yl-2,3,5,7,8,8a-hexahydro-1H-naphthalene |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24 |
| Scaffold Graph Node Bond Level | C=C1CCC2CCCC=C2C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FTSINDMZMFBWFS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.986 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.356 |
| Synonyms | 2-isopropyl -5-methyl-9-methylene bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene-bicyclo[4.4.0] dec-1-ene, bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene, bicyclo[4.4.0]dec-1-ene,2-isopropyl-5-methyl-9-methylene- |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC(C)=C(C)C |
| Compound Name | Bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene- |
| 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 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.5673133999999997 |
| Inchi | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10,12,14H,3,5-9H2,1-2,4H3 |
| Smiles | CC1CCC(=C2C1CCC(=C)C2)C(C)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1431152 - 9. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all