4,4-Dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol
PubChem CID: 157010012
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| Compound Synonyms | 4,4-Dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | AQWYRDGVUURYEI-UJHNXHIOSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Compound Name | 4,4-Dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol |
| Description | 4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol can be found in cloves, which makes 4,4-dimethyltricyclo[6.3.2.0]-trideca-8-ene-1-ol a potential biomarker for the consumption of this food product. |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4S)-4,5-dimethyltricyclo[6.3.2.02,5]tridec-8-en-1-ol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H24O/c1-11-10-13-14(11,2)8-5-12-4-3-7-15(13,16)9-6-12/h4,11,13,16H,3,5-10H2,1-2H3/t11-,13-,14?,15?/m0/s1 |
| Smiles | C[C@H]1C[C@H]2C1(CCC3=CCCC2(CC3)O)C |
| Xlogp | 3.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24O |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:fooddb_chem_all