4,4-Dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo[4.1.0]heptane
PubChem CID: 5371839
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| Compound Synonyms | 4,4-Dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo[4.1.0]heptane, CHEBI:167344, PHDRQUPMFWWDKK-AUWJEWJLSA-N, (3E)-4,4-Dimethyl-3-(3-methyl-3-butenylidene)-2-methylenebicyclo[4.1.0]heptane #, (3E)-4,4-dimethyl-3-(3-methylbut-3-enylidene)-2-methylidenebicyclo[4.1.0]heptane, (e)-4,4-dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo[4.1.0]heptane |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-4,4-dimethyl-3-(3-methylbut-3-enylidene)-2-methylidenebicyclo[4.1.0]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHDRQUPMFWWDKK-AUWJEWJLSA-N |
| Fcsp3 | 0.6 |
| Logs | -7.088 |
| Rotatable Bond Count | 2.0 |
| Logd | 6.669 |
| Compound Name | 4,4-Dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo[4.1.0]heptane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9424141999999995 |
| Inchi | InChI=1S/C15H22/c1-10(2)6-7-14-11(3)13-8-12(13)9-15(14,4)5/h7,12-13H,1,3,6,8-9H2,2,4-5H3/b14-7- |
| Smiles | CC(=C)C/C=C\1/C(=C)C2CC2CC1(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients