1,7,7-Trimethylbicyclo[2.2.1]hept-5-en-2-ol
PubChem CID: 572663
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| Compound Synonyms | 91055-72-0, 1,7,7-Trimethylbicyclo[2.2.1]hept-5-en-2-ol, Bicyclo[2.2.1]hept-5-en-2-ol, 1,7,7-trimethyl-, DTXSID30341377, ZJPQCBPMMANSBE-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7,7-trimethylbicyclo[2.2.1]hept-5-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZJPQCBPMMANSBE-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.549 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.55 |
| Compound Name | 1,7,7-Trimethylbicyclo[2.2.1]hept-5-en-2-ol |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1761694 |
| Inchi | InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h4-5,7-8,11H,6H2,1-3H3 |
| Smiles | CC1(C2CC(C1(C=C2)C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abrus Pulchellus (Plant) Rel Props:Source_db:cmaup_ingredients