Bicyclo[2.2.1]heptan-1-ol
PubChem CID: 524266
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| Compound Synonyms | Bicyclo[2.2.1]heptan-1-ol, 51566-98-4, DTXSID30335276, bicyclo(2.2.1)heptan-1-ol, bicyclo[2.2.1]heptan-4-ol, norbornanol, 1-hydroxynorbornane, MFCD22423011, SCHEMBL155349, SCHEMBL8646647, DTXCID80286365, (1R,2S,4S)-(-)-endo-norborneol, AKOS015917910, BS-42774, CS-0128859, E81488, EN300-2520684, InChI=1/C7H12O/c8-7-3-1-6(5-7)2-4-7/h6,8H,1-5H, 9-(7-([(1-Methyl-2-oxohydrazino)carbonyl]amino)heptyl)-1,9-dihydro-6H-purin-6-one, 898-945-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC1C2 |
| Deep Smiles | OCCCCC5)CC6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCC1C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bicyclo[2.2.1]heptan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H12O |
| Scaffold Graph Node Bond Level | C1CC2CCC1C2 |
| Inchi Key | NIZFPIBTGJOVRT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | norbornanol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | Bicyclo[2.2.1]heptan-1-ol |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H12O/c8-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2 |
| Smiles | C1CC2(CCC1C2)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3491 - 2. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2013.809324 - 3. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3491