2,3-Dimethyl-3-(4-methyl-3-pentenyl)-2-norbornanol
PubChem CID: 6429259
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| Compound Synonyms | 2,3-dimethyl-3-(4-methyl-3-pentenyl)-2-norbornanol, 98205-40-4, DTXSID50423907, SCHEMBL10981241, DTXCID70374745, BMYYECWIIFVCQD-UHFFFAOYSA-N, 2,3-dimethyl-3(4-methyl-3-pentenyl)-2-norbornanol, 2.3-dimethyl-3-(4-methyl-3-pentenyl)-2-norbornanol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethyl-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | BMYYECWIIFVCQD-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -4.648 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.124 |
| Compound Name | 2,3-Dimethyl-3-(4-methyl-3-pentenyl)-2-norbornanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5911063999999997 |
| Inchi | InChI=1S/C15H26O/c1-11(2)6-5-9-14(3)12-7-8-13(10-12)15(14,4)16/h6,12-13,16H,5,7-10H2,1-4H3 |
| Smiles | CC(=CCCC1(C2CCC(C2)C1(C)O)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients