Cyclohexene, 4-methyl-1-(1-methylethyl)-
PubChem CID: 10369
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| Compound Synonyms | p-MENTH-3-ENE, 500-00-5, Cyclohexene, 4-methyl-1-(1-methylethyl)-, Menthomenthene, 3-p-Menthene, delta1-p-Menthene, xi-p-Menth-3-ene, 4-methyl-1-propan-2-ylcyclohexene, BRN 1850192, EINECS 207-896-4, 4-Methyl-1-(1-methylethyl)cyclohexene, DTXSID50862054, 2-05-00-00053 (Beilstein Handbook Reference), 3-Menthene, menthen, para-3-menthene, 3-para-Menthene, dl-p-Menth-3-ene, .delta.3-p-Menthene, 4-methyl-1-(propan-2-yl)cyclohex-1-ene, Menthane,didehydro derivative, 1-Isopropyl-4-methylcyclohexene, CHEBI:88834, 4-Methyl-1-iso-propylcyclohexene, DTXCID90810877, 1-Isopropyl-4-methyl-1-cyclohexene, AKOS006272091, 1-Isopropyl-4-methyl-1-cyclohexene #, DB-326149, NS00043602, Q24716505, 207-896-4 |
|---|---|
| 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 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CCCCC=CC6))CC)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Description | Isolated from thyme and peppermint oil. xi-p-Menth-3-ene is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-1-propan-2-ylcyclohexene |
| Prediction Hob | 1.0 |
| Class | Olefins |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Superclass | Hydrocarbons |
| Subclass | Cyclic olefins |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YYCPSEFQLGXPCO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -5.821 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.75 |
| Synonyms | 3-p-menthene, 4-methyl-1-(1-methylethyl)-cyclohexene, menthene (3-p), p-menth-3-ene |
| Substituent Name | Cycloalkene, Aliphatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | Cyclohexene, 4-methyl-1-(1-methylethyl)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.7668748 |
| Inchi | InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h6,8-9H,4-5,7H2,1-3H3 |
| Smiles | CC1CCC(=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
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cupressus Macrocarpa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643573 - 5. Outgoing r'ship
FOUND_INto/from Cyperus Articulatus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699418 - 6. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699418 - 7. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644074 - 8. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1280418 - 9. Outgoing r'ship
FOUND_INto/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699754 - 10. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698945