Norbornyl acetate
PubChem CID: 101199
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| Compound Synonyms | Norbornyl acetate, 2-Norbornyl acetate, Norborneol acetate, 34640-76-1, Bicyclo[2.2.1]heptan-2-ol, acetate, Bicyclo[2.2.1]hept-2-yl acetate, EINECS 252-123-6, NSC 529406, Bicyclo(2.2.1)heptan-2-ol, 2-acetate, DTXSID60885592, Bicyclo(2.2.1)heptan-2-ol, acetate, Acetic acid, bicyclo[2.2.1]hept-2-yl ester, 2-bicyclo(2.2.1)heptanyl acetate, 2-bicyclo[2.2.1]heptanyl acetate, Bicyclo(2.2.1)hept-2-yl acetate, Bicyclo[2.2.1]heptan-2-ol, 2-acetate, Acetic acid, bicyclo(2.2.1)hept-2-yl ester, SCHEMBL2623615, DTXCID401024958, NSC529406, AKOS024341080, NSC-529406, NS00055086 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC1C2 |
| Deep Smiles | CC=O)OCCCCC5CC5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-bicyclo[2.2.1]heptanyl acetate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14O2 |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Inchi Key | YXNICIBZSREEPY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | norbornyl acetate |
| Esol Class | Very soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Norbornyl acetate |
| Exact Mass | 154.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 154.21 |
| 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/C9H14O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3 |
| Smiles | CC(=O)OC1CC2CCC1C2 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Subulatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199601)11:1<7::aid-ffj542>3.0.co;2-9 - 2. Outgoing r'ship
FOUND_INto/from Dysphania Ambrosioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698506 - 3. Outgoing r'ship
FOUND_INto/from Inula Racemosa (Plant) Rel Props:Reference:ISBN:9788171360536