1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6-tetrahydro-1H-naphthalene
PubChem CID: 71436685
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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 | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6-tetrahydro-1H-naphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHNNPKNATREGBK-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.452 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.315 |
| Compound Name | 1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6-tetrahydro-1H-naphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1281142 |
| Inchi | InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9-10,12H,1,5-8H2,2-4H3 |
| Smiles | CC1CCCC2=CCC(=CC12C)C(=C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients