Fenchone, (+/-)-
PubChem CID: 82229
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| Compound Synonyms | 7787-20-4, L-Fenchone, (1R)-(-)-Fenchone, l-alpha-Fenchone, (1R,4S)-fenchone, (1R,4S)-fenchan-2-one, (-)-1,3,3-Trimethyl-2-norbornanone, (1R,4S)-(-)-Fenchone, EINECS 232-107-5, ( -)-Fenchone, 232-107-5, fenchone, (1R)-isomer, (-)-Fenchone, (1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one, EINECS 232-107-5, Fenchone, (-)-, 1,3,3-Trimethylnorbornan-2-one, (1R)-fenchone, CCRIS 8093, K6G5Y2Y3Q2, (+-)-Fenchone, FENCHONE, L-, Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1R,4S)-, 3,3-Dimethyl-8,9-dinorbornan-2-one, L-(-)-FENCHONE, 1,3,3-Trimethylnorcamphor, L-.ALPHA.-FENCHONE, (1R,4S)-(+)-fenchone, FEMA NO. 4519, FENCHONE, (+/-)-, Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1R,4S)-, DTXSID30884431, 4Q6W8568TG, Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, NSC-8896, NSC-122687, Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1R)-, Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1theta)-, MFCD00151104, 2-NORBORNANONE, 1,3,3-TRIMETHYL-, (1R,4S)-(-)-, Fenchon [German], Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (4R)-2,2,4-trimethylbicyclo(2.2.1)heptan-3-one, (4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one, UNII-K6G5Y2Y3Q2, (1R,?4S)?-1,?3,?3-?Trimethylbicyclo[2.2.1]?heptan-?2-?one, BRN 1861492, AI3-00736, (+/-)-fenchone, 2-07-00-00093 (Beilstein Handbook Reference), L-Fenchone, >=98%, (-)-Fenchone (Standard), (R)-Fenchone, L-(-)-Fenchone, L-Fenchone, l-Fenchone, SCHEMBL527930, UNII-4Q6W8568TG, CHEBI:36612, HY-N5132R, LHXDLQBQYFFVNW-OIBJUYFYSA-N, DTXCID501023872, (-)-Fenchone, analytical standard, HY-N5132, (1R)-(-)-Fenchone, >=98%, AKOS040760398, LMPR0102120031, FF165228, (-)-Fenchone 100 microg/mL in Methanol, CS-0032516, NS00123141, EN300-112064, Bicyclo2.2.1heptan-2-one, 1,3,3-trimethyl-, Q27116898, Z1255402987, Bicyclo2.2.1heptan-2-one, 1,3,3-trimethyl-, (1R,4S)- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCC1C2 |
| Np Classifier Class | Fenchane monoterpenoids |
| Deep Smiles | O=C[C@]C)CC[C@H]C6C)C))C5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | O=C1CC2CCC1C2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHXDLQBQYFFVNW-OIBJUYFYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.9 |
| Logs | -2.763 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.21 |
| Synonyms | (-)-fenchone, l-fenchone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Fenchone, (+/-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.0014694 |
| Inchi | InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1 |
| Smiles | C[C@@]12CC[C@@H](C1)C(C2=O)(C)C |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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