p-Menthan-8-yl acetate
PubChem CID: 6631
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| Compound Synonyms | Dihydroterpinyl acetate, p-Menthan-8-yl acetate, 80-25-1, 58985-18-5, Dihydro-alpha-terpinyl acetate, 2-(4-methylcyclohexyl)propan-2-yl acetate, p-MENTHAN-8-OL, ACETATE, Acetic acid, dihydroterpinyl ester, Acetic acid, p-menthan-8-ol ester, Cyclohexanemethanol, .alpha.,.alpha.,4-trimethyl-, acetate, cis-dihydro-.alpha.-Terpinyl acetate, Terpineol, dihydro-, acetate, ALPHA-DIHYDROTERPINYL ACETATE, EINECS 201-264-1, alpha,alpha,4-Trimethylcyclohexylmethyl acetate, Cyclohexanemethanol, alpha,alpha,4-trimethyl-, acetate, Dihydroterpineol acetate, Dihydro terpinyl acetate, cis-p-menthan-8-yl acetate, cis-p-Menthan-8-ol, acetate, trans-p-Menthan-8-yl acetate, SCHEMBL1773678, trans-p-Menthan-8-ol, acetate, Cyclohexanemethanol, alpha,alpha,4-trimethyl-, 1-acetate, DTXSID0052677, DTXSID6042446, Dihydro-.alpha.-terpinyl acetate, AKOS006283300, NS00012812, NS00075620, Cyclohexanemethanol, a,a,4-trimethyl-, acetate, 1-Methyl-1-(4-methylcyclohexyl)ethyl acetate # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CCCCCCC6))COC=O)C)))C)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Prenol lipids |
| Description | Flavouring compound [Flavornet] |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methylcyclohexyl)propan-2-yl acetate |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O2 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HBNHCGDYYBMKJN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.9166666666666666 |
| Logs | -3.148 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.504 |
| Synonyms | p-menthan-8-yl acetate, terpinyl acetate (cis-dihydro-alpha) |
| Esol Class | Soluble |
| Functional Groups | COC(C)=O |
| Compound Name | p-Menthan-8-yl acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.9882972000000003 |
| Inchi | InChI=1S/C12H22O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h9,11H,5-8H2,1-4H3 |
| Smiles | CC1CCC(CC1)C(C)(C)OC(=O)C |
| Nring | 1.0 |
| 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 Aloysia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700034 - 2. Outgoing r'ship
FOUND_INto/from Cupressus Sempervirens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700034 - 3. Outgoing r'ship
FOUND_INto/from Dysphania Ambrosioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2005.10643436 - 4. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700034 - 6. Outgoing r'ship
FOUND_INto/from Lavandula Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700034 - 7. Outgoing r'ship
FOUND_INto/from Melissa Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700034 - 8. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700034