1-Ethoxy-p-menth-2-ene
PubChem CID: 92004572
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| Compound Synonyms | 1-Ethoxy-p-menth-2-ene, SCHEMBL16634380, CHEBI:231214, 3-ethoxy-3-methyl-6-propan-2-ylcyclohexene |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | VVTMUJNOAJKUIU-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Compound Name | 1-Ethoxy-p-menth-2-ene |
| Kingdom | Organic compounds |
| Description | 1-ethoxy-p-menth-2-ene 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. 1-ethoxy-p-menth-2-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-ethoxy-p-menth-2-ene can be found in sweet marjoram, which makes 1-ethoxy-p-menth-2-ene a potential biomarker for the consumption of this food product. |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.167 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethoxy-3-methyl-6-propan-2-ylcyclohexene |
| Total Atom Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h6,8,10-11H,5,7,9H2,1-4H3 |
| Smiles | CCOC1(CCC(C=C1)C(C)C)C |
| Xlogp | 3.2 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Monoterpenoids |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Molecular Formula | C12H22O |
- 1. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:fooddb_chem_all