cis-3-Ethoxy-p-menth-1-ene
PubChem CID: 85842332
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| Compound Synonyms | cis-3-Ethoxy-p-menth-1-ene, SCHEMBL16633959 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Description | Cis-3-ethoxy-p-menth-1-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. Cis-3-ethoxy-p-menth-1-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-3-ethoxy-p-menth-1-ene can be found in sweet marjoram, which makes cis-3-ethoxy-p-menth-1-ene a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethoxy-1-methyl-4-propan-2-ylcyclohexene |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Monoterpenoids |
| Molecular Formula | C12H22O |
| Inchi Key | IGDOLPGZDYSOBC-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Compound Name | cis-3-Ethoxy-p-menth-1-ene |
| Kingdom | Organic compounds |
| Exact Mass | 182.167 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 182.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Inchi | InChI=1S/C12H22O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h8-9,11-12H,5-7H2,1-4H3 |
| Smiles | CCOC1C=C(CCC1C(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