(2Z,8Z)-4,4,8-trimethylcycloundeca-2,8-dien-1-one
PubChem CID: 101324866
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,8Z)-4,4,8-trimethylcycloundeca-2,8-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C14H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSPDFJOUMGPCOG-QPRCWUMCSA-N |
| Fcsp3 | 0.6428571428571429 |
| Logs | -4.288 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.608 |
| Compound Name | (2Z,8Z)-4,4,8-trimethylcycloundeca-2,8-dien-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 206.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.5069397999999996 |
| Inchi | InChI=1S/C14H22O/c1-12-6-4-8-13(15)9-11-14(2,3)10-5-7-12/h6,9,11H,4-5,7-8,10H2,1-3H3/b11-9-,12-6- |
| Smiles | C/C/1=C/CCC(=O)/C=C\C(CCC1)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Blainvillea Acmella (Plant) Rel Props:Source_db:cmaup_ingredients