p-Mentha-1,3,8-triene
PubChem CID: 176983
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| Compound Synonyms | p-Mentha-1,3,8-triene, 1,3,8-p-Menthatriene, 18368-95-1, 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene, p-Menthatriene, p-1,3,8-Menthatriene, p-Menta-1,3,8-triene, 1,3,8-para-Menthatriene, 1,3,8-menthatriene, 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethenyl)-, ZDY5H4QWH3, 1-methyl-4-(prop-1-en-2-yl)cyclohexa-1,3-diene, 1-Isopropenyl-4-methyl-1,3-cyclohexadiene, CHEBI:89242, P-MENTHATRIENE,P-MENTHA-1,3,8-TRIENE, DTXSID60171462, 2-Methyl-5-(1-methylethenyl)-1,3-Cyclohexadiene, 1-Methyl-4-(1-methylethenyl)-1,3-cyclohexadiene, 1-Methyl-4-(1-methylethenyl)-1,3-cyclohexadiene, 9CI, UNII-ZDY5H4QWH3, DTXCID7093953, HY-N12969, CS-1099515, NS00126671, 1-Isopropenyl-4-methyl-1,3-cyclohexadiene #, Q27161428 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CC=CC=CCC6))C=C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Description | Isolated from Petroselinum sativum (Yugoslavian parsley). p-Mentha-1,3,8-triene is found in dill, herbs and spices, and parsley. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene |
| Prediction Hob | 1.0 |
| Class | Olefins |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.0 |
| Superclass | Hydrocarbons |
| Subclass | Cyclic olefins |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14 |
| Scaffold Graph Node Bond Level | C1=CCCC=C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XNMPFDIYAMOYRM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -1.455 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.567 |
| Synonyms | 1-Isopropenyl-4-methyl-1,3-cyclohexadiene, 1-Methyl-4-(1-methylethenyl)-1,3-cyclohexadiene, 9CI, 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethenyl)-, 1,3,8-menthatriene, 1,3,8-p-menthatriene, 1,3,8-para-Menthatriene, 2-Methyl-5-(1-methylethenyl)-1,3-cyclohexadiene, p-1,3,8-Menthatriene, p-Menta-1,3,8-triene, 1,3,8-Menthatriene, 1,3,8-p-Menthatriene, 1,3,8-Para-menthatriene, 1-Methyl-4-(1-methylethenyl)-1,3-cyclohexadiene, 1-Methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene, p-Menthatriene, 1-Methyl-4-(1-methylethenyl)-1,3-cyclohexadiene, 9ci, P-Menta-1,3,8-triene, 1,3,8-p-menthatriene, 1,3,8-p-menthatriene*, 1,3,8-p-methatriene, 1,3,8-para-menthatriene, menthatriene (1,3,8-p), p-1,3,8-menthatriene, p-menth-1,3,8-triene, p-mentha- 1,3,8-triene, p-mentha-1,3,8 triene, p-mentha-1,3,8-triene, p-mentha-1.3.8-triene, p-menthatriene |
| Substituent Name | Cyclic olefin, Aliphatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C1=CC=C(C)CC1 |
| Compound Name | p-Mentha-1,3,8-triene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 134.22 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.5150764 |
| Inchi | InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3 |
| Smiles | CC1=CC=C(CC1)C(=C)C |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
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