1,5,5,8-Tetramethyl-3,7-cycloundecadien-1-ol
PubChem CID: 5367678
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| Compound Synonyms | SCHEMBL10748823, ZLMAVMBYWKVCLV-QYKINMCYSA-N, 1,5,5,8-Tetramethyl-3,7-cycloundecadien-1-ol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,7Z)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZLMAVMBYWKVCLV-QYKINMCYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.122 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.61 |
| Compound Name | 1,5,5,8-Tetramethyl-3,7-cycloundecadien-1-ol |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.6316063999999995 |
| Inchi | InChI=1S/C15H26O/c1-13-7-5-10-15(4,16)11-6-9-14(2,3)12-8-13/h6,8-9,16H,5,7,10-12H2,1-4H3/b9-6+,13-8- |
| Smiles | C/C/1=C/CC(/C=C/CC(CCC1)(C)O)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients