1-(2-Methoxypropan-2-yl)-4-methylbenzene
PubChem CID: 14121774
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-(2-methoxypropan-2-yl)-4-methylbenzene, 1-(1-Methoxy-1-methylethyl)-4-methylbenzene, 8-Methoxy-p-cymene, SCHEMBL9508337, CHEBI:195763, 8-Methoxy-p-mentha-1,3,5-triene |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Isolated from lime (Citrus aurantifolia) oil. 1-(1-Methoxy-1-methylethyl)-4-methylbenzene is found in citrus and pepper (spice). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-methoxypropan-2-yl)-4-methylbenzene |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | 2.5 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Toluenes |
| Molecular Formula | C11H16O |
| Inchi Key | YCCVSCJOXISVEI-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-(1-Methoxy-1-methylethyl)-4-methylbenzene, 8-Methoxy-p-cymene, 8-Methoxy-p-mentha-1,3,5-triene |
| Substituent Name | Nitrotoluene, Phenylpropane, Benzylether, Ether, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Compound Name | 1-(2-Methoxypropan-2-yl)-4-methylbenzene |
| Kingdom | Organic compounds |
| Exact Mass | 164.12 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 164.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 164.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3 |
| Smiles | CC1=CC=C(C=C1)C(C)(C)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all