Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
PubChem CID: 101604
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| Compound Synonyms | Nopyl acetate, 128-51-8, Nopol acetate, Lignyl acetate, Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl acetate, 2-Pinene-10-methyl acetate, (1R)-(-)-Nopyl acetate, 2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate, 6, acetate, Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, 6165-23-7, Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, 6,6-Dimethylbicyclo(3.1.1)-2-heptene-2-ethyl acetate, WLN: L46 EUTJ C1 C1 E2OV1, 2-Norpinene-2-ethanol,6-dimethyl-, acetate, Bicyclo[3.1.1]hept-2-ene-2-ethanol,6-dimethyl-, acetate, 2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl acetate, 6,6-Dimethylbicyclo[3.1.1]-2-heptene-2-ethyl acetate, SCHEMBL132597, CHEMBL257347, DTXSID70977235, NSC1286, NSC404963, STL570065, AKOS030513519, TS-08097, NS00006223, Bicyclo3.1.1hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate, 2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)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 | C1CC2CC(C1)C2 |
| Np Classifier Class | Pinane monoterpenoids |
| Deep Smiles | CC=O)OCCC=CCCCC6C4C)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CC(C1)C2 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl acetate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H20O2 |
| Scaffold Graph Node Bond Level | C1=CC2CC(C1)C2 |
| Inchi Key | AWNOGHRWORTNEI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | nopyl acetate |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, COC(C)=O |
| Compound Name | Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate |
| Exact Mass | 208.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 208.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3 |
| Smiles | CC(=O)OCCC1=CCC2CC1C2(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 Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643781