6-Nonen-4-olide, (Z)-
PubChem CID: 6428855
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| Compound Synonyms | (Z)-6-Nonen-4-olide, UNII-2MNL392UBF, 2MNL392UBF, (Z)-(+/-)-6-Nonen-4-olide, 2(3H)-Furanone, dihydro-5-(2-pentenyl)-, (Z)-, 4-hydroxy-(Z)-non-6-enoic acid, lactone, 76710-90-2, 6-NONEN-4-OLIDE, (Z)-, FPWNJNJVLBJJSN-ARJAWSKDSA-N, 5-[(2Z)-2-pentenyl]dihydro-2(3H)-furanone, 5-[(Z)-pent-2-enyl]-tetrahydro-furan-2-one, Q27254975 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CC/C=CCCCCC=O)O5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Lactones |
| Scaffold Graph Node Level | OC1CCCO1 |
| Classyfire Subclass | Gamma butyrolactones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(Z)-pent-2-enyl]oxolan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14O2 |
| Scaffold Graph Node Bond Level | O=C1CCCO1 |
| Inchi Key | FPWNJNJVLBJJSN-ARJAWSKDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | (z)-6-nonen-4-olide, (z)6-nonen-4-olide |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 6-Nonen-4-olide, (Z)- |
| Exact Mass | 154.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 154.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,8H,2,5-7H2,1H3/b4-3- |
| Smiles | CC/C=C\CC1CCC(=O)O1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Polianthes Tuberosa (Plant) Rel Props:Reference:ISBN:9788172362140; ISBN:9788185042114