Bicyclo[4.1.0]heptane, 7-bicyclo[4.1.0]hept-7-ylidene-
PubChem CID: 562714
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| Compound Synonyms | 4433-05-0, Bicyclo[4.1.0]heptane, 7-bicyclo[4.1.0]hept-7-ylidene-, Bicylo[4.1.0]heptane, 7-bicyclo[4.1.0]hept-7-ylidene-, DTXSID50340226, PGJOOQCXPNHXDI-UHFFFAOYSA-N, RCL T180769, AKOS024321672 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(7-bicyclo[4.1.0]heptanylidene)bicyclo[4.1.0]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C14H20 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PGJOOQCXPNHXDI-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -6.226 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.963 |
| Compound Name | Bicyclo[4.1.0]heptane, 7-bicyclo[4.1.0]hept-7-ylidene- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.157 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 188.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4204467999999997 |
| Inchi | InChI=1S/C14H20/c1-2-6-10-9(5-1)13(10)14-11-7-3-4-8-12(11)14/h9-12H,1-8H2 |
| Smiles | C1CCC2C(C1)C2=C3C4C3CCCC4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients