p-Menth-3-enol
PubChem CID: 12836208
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| Compound Synonyms | p-menth-3-enol, SCHEMBL9063173, 344294-15-1, DB-279229, 1-CYCLOHEXEN-1-OL, 5-METHYL-2-(1-METHYLETHYL)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Terpinenol is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Terpinenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Terpinenol can be found in sweet marjoram, which makes terpinenol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-2-propan-2-ylcyclohexen-1-ol |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 2.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H18O |
| Inchi Key | LHMGSNZLLXEMFF-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | P-menthenol |
| Compound Name | p-Menth-3-enol |
| Kingdom | Organic compounds |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-8,11H,4-6H2,1-3H3 |
| Smiles | CC1CCC(=C(C1)O)C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:fooddb_chem_all