(4aR,5R,8aR)-2,5-dimethyl-8-propan-2-ylidene-1,4,5,6,7,8a-hexahydronaphthalen-4a-ol
PubChem CID: 15894371
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4aR,5R,8aR)-2,5-dimethyl-8-propan-2-ylidene-1,4,5,6,7,8a-hexahydronaphthalen-4a-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VXQLDLRZLVFYFR-BPLDGKMQSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.628 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.786 |
| Compound Name | (4aR,5R,8aR)-2,5-dimethyl-8-propan-2-ylidene-1,4,5,6,7,8a-hexahydronaphthalen-4a-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1340072 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h7,12,14,16H,5-6,8-9H2,1-4H3/t12-,14-,15-/m1/s1 |
| Smiles | C[C@@H]1CCC(=C(C)C)[C@@H]2[C@]1(CC=C(C2)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nekemias Grossedentata (Plant) Rel Props:Source_db:cmaup_ingredients