gamma-Terpinyl acetate
PubChem CID: 82480
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| Compound Synonyms | gamma-Terpinyl acetate, 10235-63-9, 1-Methyl-4-(1-methylethylidene)cyclohexyl acetate, (1-methyl-4-propan-2-ylidenecyclohexyl) acetate, 1-Acetoxy-p-menth-4(8)-ene, .gamma.-Terpinyl acetate, .gamma.-Terpineol acetate, UNII-9W5WSA0D5Q, p-Menth-4(8)-en-1-ol, acetate, 9W5WSA0D5Q, Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate, Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, 1-acetate, EINECS 233-564-3, p-Menth-4-en-1-yl acetate, DTXSID1051515, FEMA NO. 3047, .GAMMA.-, gamma-Terpineol Acetate, DTXCID2030063, SCHEMBL16177472, CHEBI:32346, KAA23563, FEMA NO. 3047, GAMMA-, AKOS015841031, LMPR0102090047, DB-246673, NS00012735, Q27114893 |
|---|---|
| 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 | CC1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CC=O)OCC)CCC=CC)C))CC6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1-methyl-4-propan-2-ylidenecyclohexyl) acetate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H20O2 |
| Scaffold Graph Node Bond Level | C=C1CCCCC1 |
| Inchi Key | ZKKBZSOYCMSYRW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | γ-terpinyl acetate |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C(C)C, COC(C)=O |
| Compound Name | gamma-Terpinyl acetate |
| Exact Mass | 196.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.29 |
| 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 |
| Inchi | InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3 |
| Smiles | CC(=C1CCC(CC1)(C)OC(=O)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 Teucrium Polium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698249