Isobornyl formate
PubChem CID: 23623868
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| Compound Synonyms | 1200-67-5, Isobornyl formate, Isobornyl methanoate, Isoborneol formate, Isoborneol, formate, FEMA No. 2162, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-, 8QPT973QF4, rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate, EXO-2-BORNYL FORMATE, Bornyl formate, EXO-2-CAMPHANYL FORMATE, ISOBORNYL FORMATE [FHFI], CHEBI:132828, BICYCLO(2.2.1)HEPTAN-2-OL, 1,7,7-TRIMETHYL-, FORMATE, EXO-, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-formate, (1R,2R,4R)-rel-, 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl formate, exo-, exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl formate, Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl formate, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, exo-, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel-, 2-Bornyl formate, exo-, 2-Camphanyl formate, exo-, DTXSID30881243, UNII-8QPT973QF4, ((1R,2R,4R)-1,7,7-trimethyl-2-bicyclo(2.2.1)heptanyl) formate, [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate, rel-(1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl formate, EINECS 214-853-3, MFCD00135983, ISOBORNYLFORMATE, Bornyl (iso) formate, AI3-09494, RDWUNORUTVEHJF-KKZNHRDASA-N, (+/-)-ISOBORNYL FORMATE, DTXCID001505095, ISOBORNYL FORMATE, (+/-)-, AKOS028113130, AS-76540, CS-0196560, A11432, Q27270907, rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylformate, Bicyclo2.2.1heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel- |
|---|---|
| Ghose Rule | True |
| 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 |
| Np Classifier Class | Camphane monoterpenoids |
| Deep Smiles | O=CO[C@@H]C[C@@H]C[C@@]5C)CC5)))C)C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H18O2 |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Inchi Key | RDWUNORUTVEHJF-KKZNHRDASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | isobornyl formate |
| Esol Class | Soluble |
| Functional Groups | COC=O |
| Compound Name | Isobornyl formate |
| Exact Mass | 182.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 182.26 |
| 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/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m1/s1 |
| Smiles | C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC=O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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