6,6-Dimethyl-2-norpinene-2-carboxylate
PubChem CID: 9543048
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| Compound Synonyms | Myrtenate, 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate, 6,6-Dimethyl-2-norpinene-2-carboxylate |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C10H13O2- |
| Prediction Swissadme | 1.0 |
| Inchi Key | XPHVDOXZJRTIMV-UHFFFAOYSA-M |
| Fcsp3 | 0.7 |
| Logs | -2.683 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.391 |
| Compound Name | 6,6-Dimethyl-2-norpinene-2-carboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 165.092 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 165.092 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 165.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7782144000000004 |
| Inchi | InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)/p-1 |
| Smiles | CC1(C2CC=C(C1C2)C(=O)[O-])C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients