6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde
PubChem CID: 165266
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| Compound Synonyms | Myrtanal, 6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde, 4764-14-1, 6,6-Dimethylbicyclo[3.1.1]heptane-2-carbaldehyde, Bicyclo[3.1.1]heptane-2-carboxaldehyde, 6,6-dimethyl-, Myrtenal, dihydro-, 10-Pinanal, EINECS 225-304-2, DTXSID8052227, SCHEMBL19742869, 2-Norpinanecarboxaldehyde, 6,6-dimethyl-, NS00100384, 6,6-Dimethylbicyclo[3.1.1]heptane-2-carbaldehyde # |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | OOCLVMCVOWKECB-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Compound Name | 6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.2235694 |
| Inchi | InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h6-9H,3-5H2,1-2H3 |
| Smiles | CC1(C2CCC(C1C2)C=O)C |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H16O |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients