Cyclopenta[1,3]cyclopropa[1,2]cyclohepten-3(3aH)-one, 1,2,3b,6,7,8-hexahydro-6,6-dimethyl-
PubChem CID: 561869
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | GAFNCQKDDCZIPL-UHFFFAOYSA-N, 6,6-Dimethyl-1,2,3b,6,7,8-hexahydrocyclopenta[2,3]cyclopropa[1,2-a]cyclohepten-3(3ah)-one #, Cyclopenta[1,3]cyclopropa[1,2]cyclohepten-3(3aH)-one, 1,2,3b,6,7,8-hexahydro-6,6-dimethyl- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC23CCCCCC2C13 |
| Np Classifier Class | Clovane sesquiterpenoids |
| Deep Smiles | O=CCCCC5C3C=CCCC8))C)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCC23CCCCCC2C13 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4-dimethyltricyclo[5.4.0.01,8]undec-5-en-9-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H18O |
| Scaffold Graph Node Bond Level | O=C1CCC23CCCC=CC2C13 |
| Inchi Key | GAFNCQKDDCZIPL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclopenta[1,3]cyclopropa[1,2]cyclohepten-3(3ah) 1,2,3b,6,7,8-hexahydro-6,6-dimethyl |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, CC=CC |
| Compound Name | Cyclopenta[1,3]cyclopropa[1,2]cyclohepten-3(3aH)-one, 1,2,3b,6,7,8-hexahydro-6,6-dimethyl- |
| Exact Mass | 190.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 190.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H18O/c1-12(2)5-3-9-11-10(14)4-6-13(9,11)8-7-12/h3,5,9,11H,4,6-8H2,1-2H3 |
| Smiles | CC1(CCC23CCC(=O)C2C3C=C1)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cordia Sebestena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884758