1,1,3a-Trimethyl-7-methylenedecahydro-1H-cyclopropa[a]naphthalene
PubChem CID: 595370
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| Compound Synonyms | YLHIMAHFOWREAD-UHFFFAOYSA-N, 1,1,3a-Trimethyl-7-methylenedecahydro-1H-cyclopropa[a]naphthalene, 1,1,3a-Trimethyl-7-methylenedecahydro-1H-cyclopropa[a]naphthalene #, 1H-Cyclopropa[a]naphthalene, decahydro-1,1,3a-trimethyl-7-methylene-, [1aS-(1a.alpha.,3a.alpha.,7a.beta.,7b.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,3a-trimethyl-7-methylidene-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YLHIMAHFOWREAD-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.834 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.468 |
| Compound Name | 1,1,3a-Trimethyl-7-methylenedecahydro-1H-cyclopropa[a]naphthalene |
| 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 | -4.1625134 |
| Inchi | InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11-13H,1,5-9H2,2-4H3 |
| Smiles | CC1(C2C1C3C(=C)CCCC3(CC2)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients