2-Methyl-2-bornene
PubChem CID: 155902
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| Compound Synonyms | 2-Methyl-2-bornene, 72540-93-3, 1,2,7,7-Tetramethylbicyclo[2.2.1]hept-2-ene, Bicyclo(2.2.1)hept-2-ene, 1,2,7,7-tetramethyl-, DTXSID30993395, CHEBI:198756, ZLCRBFJQCPQSGZ-UHFFFAOYSA-N, 1,2,7,7-Tetramethylbicyclo[2.2.1]hept-2-ene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,7,7-tetramethylbicyclo[2.2.1]hept-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C11H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZLCRBFJQCPQSGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -4.461 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.827 |
| Compound Name | 2-Methyl-2-bornene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9577430000000002 |
| Inchi | InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h7,9H,5-6H2,1-4H3 |
| Smiles | CC1=CC2CCC1(C2(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients