beta-Fenchene
PubChem CID: 6427888
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| Compound Synonyms | .beta.-fenchene, (1R,4R)-1,5,5-trimethylbicyclo(2.2.1)hept-2-ene, (1R,4R)-1,5,5-trimethylbicyclo[2.2.1]hept-2-ene, b-Fenchene, (3E)-3-(1-Chloroethylidene)-2-benzofuran-1(3H)-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC1C2 |
| Np Classifier Class | Fenchane monoterpenoids |
| Deep Smiles | C[C@@]C=C[C@@H]C5)CC6)C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,4R)-1,5,5-trimethylbicyclo[2.2.1]hept-2-ene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C1=CC2CCC1C2 |
| Inchi Key | FUIDRYCKEXJNOK-WCBMZHEXSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | beta fenchene |
| Esol Class | Soluble |
| Functional Groups | CC=CC |
| Compound Name | beta-Fenchene |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16/c1-9(2)7-10(3)5-4-8(9)6-10/h4-5,8H,6-7H2,1-3H3/t8-,10+/m0/s1 |
| Smiles | C[C@]12C[C@H](C=C1)C(C2)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Reference:ISBN:9788171360536