2,6,6,11-Tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-ol
PubChem CID: 85910272
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| Compound Synonyms | XQPMEWZJPNAPBK-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XQPMEWZJPNAPBK-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.342 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.19 |
| Compound Name | 2,6,6,11-Tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-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 | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4112071999999998 |
| Inchi | InChI=1S/C15H24O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,10-13,16H,5-7H2,1-4H3 |
| Smiles | CC1=CC(C2C3C1C2(CCCC3(C)C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all