(8aS)-4a,8,8a-trimethyl-2-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene
PubChem CID: 5321227
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8aS)-4a,8,8a-trimethyl-2-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C16H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IGHNHLWYXDJPIB-UYSNPLJNSA-N |
| Fcsp3 | 0.75 |
| Logs | -5.084 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.2 |
| Compound Name | (8aS)-4a,8,8a-trimethyl-2-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 218.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7504808 |
| Inchi | InChI=1S/C16H26/c1-12(2)14-8-10-15(4)9-6-7-13(3)16(15,5)11-14/h7,14H,1,6,8-11H2,2-5H3/t14?,15?,16-/m1/s1 |
| Smiles | CC1=CCCC2([C@@]1(CC(CC2)C(=C)C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients