p-Menth-1-ene
PubChem CID: 21671
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| Compound Synonyms | Cyclohexene, 1-methyl-4-(1-methylethyl)-, Menthene, 1-p-Menthene, p-Menth-1-ene, 5502-88-5, CARVOMENTHENE, 1-methyl-4-propan-2-ylcyclohexene, 4-Isopropyl-1-methylcyclohexene, 1-Methyl-4-isopropyl-1-cyclohexene, Menthane, didehydro derivative, 1-Methyl-4-isopropylcyclohexene, 1-methyl-4-(propan-2-yl)cyclohex-1-ene, NSC 96749, Nu-Film P, RFR322M42W, .delta.1-p-Menthene, (+)-p-Menth-1-ene, EINECS 226-841-5, EINECS 249-579-3, NSC-96749, AI3-26469, 29350-67-2, Cyclohexane, 1-methyl-4-(1-methylethyl)-, didehydro deriv., DTXSID60863552, 4-Isopropyl-1-methyl-1-cyclohexene, 1195-31-9, 27966-26-3, p-Menth-1-ene, (R)-(+)-, para-1-menthene, p-1-Menthene, p-Ment-1-ene, .delta.(Sup1)-p-Menthene, NCIOpen2_001898, UNII-RFR322M42W, CHEMBL5267894, DTXCID70812152, CHEBI:134312, NSC96749, 1-methyl-4-isopropylcyclohex-1-ene, AKOS006230680, 1-Methyl-4-(1-methylethyl)cyclohexene, (4R)-4-Isopropyl-1-methyl-cyclohexene, 1-methyl-4-(1-methylethyl)-cyclohexene, DB-041476, DB-243640, DB-286443, NS00012213, EN300-7182893, 226-841-5, 249-579-3 |
|---|---|
| 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 | CC=CCCCC6))CC)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-propan-2-ylcyclohexene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FAMJUFMHYAFYNU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-p-menthene, carvomenthene, p-1-menthene, p-1-menthene (8,9-dihydrolimonene) |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | p-Menth-1-ene |
| 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 |
| Lipinski Rule Of 5 | True |
| Esol | -2.7857748 |
| Inchi | InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3 |
| Smiles | CC1=CCC(CC1)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Boswellia Serrata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1124 - 7. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698798 - 8. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Juniperus Excelsa (Plant) Rel Props:Reference:ISBN:9770972795006 - 11. Outgoing r'ship
FOUND_INto/from Mentha Rotundifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.854507 - 12. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Rosa Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1119066 - 15. Outgoing r'ship
FOUND_INto/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643720