(1aS,2S,4aS,8aR)-2-hydroxy-2,4a,8,8-tetramethyl-1,1a,3,5,6,7-hexahydrocyclopropa[d]naphthalen-4-one
PubChem CID: 14527040
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1aS,2S,4aS,8aR)-2-hydroxy-2,4a,8,8-tetramethyl-1,1a,3,5,6,7-hexahydrocyclopropa[d]naphthalen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DQQQGAFDHZXUFN-QPKOPYBWSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -3.765 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.545 |
| Compound Name | (1aS,2S,4aS,8aR)-2-hydroxy-2,4a,8,8-tetramethyl-1,1a,3,5,6,7-hexahydrocyclopropa[d]naphthalen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9119009999999994 |
| Inchi | InChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)11(16)9-14(4,17)10-8-15(10,12)13/h10,17H,5-9H2,1-4H3/t10-,13-,14+,15-/m1/s1 |
| Smiles | C[C@]12CCCC([C@]13C[C@@H]3[C@@](CC2=O)(C)O)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Marchantia Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients