4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene
PubChem CID: 527107
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | QTZAETFGONVPST-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6b-dimethyl-2-propan-2-yl-1a,2,3,3a,6,6a-hexahydro-1H-cyclopropa[e]indene |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -3.8571134 |
| Inchi | InChI=1S/C15H24/c1-9(2)11-7-12-10(3)5-6-13(12)15(4)8-14(11)15/h5,9,11-14H,6-8H2,1-4H3 |
| Smiles | CC1=CCC2C1CC(C3C2(C3)C)C(C)C |
| Xlogp | 4.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients