(1S,7aR)-1,6,6-trimethyl-4-propan-2-ylidene-2,5,7,7a-tetrahydro-1H-indene
PubChem CID: 15484923
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,7aR)-1,6,6-trimethyl-4-propan-2-ylidene-2,5,7,7a-tetrahydro-1H-indene |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | INOXZQPYSRQSRK-SMDDNHRTSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.385 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.874 |
| Compound Name | (1S,7aR)-1,6,6-trimethyl-4-propan-2-ylidene-2,5,7,7a-tetrahydro-1H-indene |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9672133999999994 |
| Inchi | InChI=1S/C15H24/c1-10(2)13-8-15(4,5)9-14-11(3)6-7-12(13)14/h7,11,14H,6,8-9H2,1-5H3/t11-,14+/m0/s1 |
| Smiles | C[C@H]1CC=C2[C@@H]1CC(CC2=C(C)C)(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Conocephalum Conicum (Plant) Rel Props:Source_db:cmaup_ingredients