Maaliol
PubChem CID: 12309603
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| Compound Synonyms | Maaliol, Maali alcohol, (+)-Maaliol, CJRKEDMYNFITCQ-UHFFFAOYSA-N, (1aR,3aS,7S,7aS,7bR)-1,1,3a,7-Tetramethyldecahydro-1H-cyclopropa[a]naphthalen-7-ol, H-Cyclopropa[a]naphthalen-7-ol, decahydro-1,1,3a,7-tetramethyl-, (1aR,3aS,7S,7aS,7bR)-, 1H-Cyclopropa[a]naphthalen-7-ol, decahydro-1,1,3a,7-tetramethyl-, (1aR,3aS,7S,7aS,7bR)-(+)-, 1H-Cyclopropa[a]naphthalen-7-ol, decahydro-1,1,3a,7-tetramethyl-, [1aR-(1a.alpha.,3a.alpha.,7.beta.,7a.beta.,7b.alpha.)]- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CJRKEDMYNFITCQ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.714 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.942 |
| Compound Name | Maaliol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7828064 |
| Inchi | InChI=1S/C15H26O/c1-13(2)10-6-9-14(3)7-5-8-15(4,16)12(14)11(10)13/h10-12,16H,5-9H2,1-4H3 |
| Smiles | CC1(C2C1C3C(CCCC3(C)O)(CC2)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients