(E)-8(9)-p-Menthen-1,2-diol
PubChem CID: 130762593
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| Compound Synonyms | (E)-8(9)-p-Menthen-1,2-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | WKZWTZTZWGWEGE-DJBFQZMMSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | (E)-8(9)-p-Menthen-1,2-diol |
| Kingdom | Organic compounds |
| Description | (e)-8(9)-p-menthen-1,2-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). (e)-8(9)-p-menthen-1,2-diol can be found in wild celery, which makes (e)-8(9)-p-menthen-1,2-diol a potential biomarker for the consumption of this food product. |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol |
| Total Atom Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9?,10+/m0/s1 |
| Smiles | CC(=C)[C@H]1CC[C@@](C(C1)O)(C)O |
| Xlogp | 1.5 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Monoterpenoids |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Molecular Formula | C10H18O2 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all