Epoxycampholenic aldehyde
PubChem CID: 101418270
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Epoxycampholenic aldehyde, CHEBI:193723, 1,2,2-Trimethyl-6-oxabicyclo[3.1.0]hexane-3-acetaldehyde, 9CI, 2-(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)acetaldehyde |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC2C1 |
| Np Classifier Class | Carane monoterpenoids |
| Deep Smiles | O=CCCCCCC5C)C))O3)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Oxanes |
| Description | Constituent of Juniperus communis (juniper). Epoxycampholenic aldehyde is found in fruits. |
| Scaffold Graph Node Level | C1CC2OC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)acetaldehyde |
| Class | Oxanes |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.2 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O2 |
| Scaffold Graph Node Bond Level | C1CC2OC2C1 |
| Inchi Key | OSNRGQATWCHICL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1,2,2-Trimethyl-6-oxabicyclo[3.1.0]hexane-3-acetaldehyde, 9CI, Epoxycampholenic aldehyde, 1,2,2-Trimethyl-6-oxabicyclo[3.1.0]hexane-3-acetaldehyde, 9ci, epoxycampholenic aldehyde |
| Esol Class | Very soluble |
| Functional Groups | CC1OC1(C)C, CC=O |
| Compound Name | Epoxycampholenic aldehyde |
| Kingdom | Organic compounds |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O2/c1-9(2)7(4-5-11)6-8-10(9,3)12-8/h5,7-8H,4,6H2,1-3H3 |
| Smiles | CC1(C(CC2C1(O2)C)CC=O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Oxanes |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Sium Latijugum (Plant) Rel Props:Reference:ISBN:9788185042114