6,9-Dodecadien-4-olide, (6Z,9Z)-
PubChem CID: 12980879
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| Compound Synonyms | Tuberose lactone, Tuberose lactone [FHFI], FEMA No. 4067, UNII-388RBW40WH, 388RBW40WH, 153175-57-6, 6,9-Dodecadien-4-olide, (6Z,9Z)-, (Z,Z)-(+/-)-6,9-dodecadien-4-olide, TUBEROSELACTONE, 2(3H)-Furanone, dihydro-5-(2Z,5Z)-2,5-octadienyl-, 2(3H)-Furanone, dihydro-5-(2,5-octadienyl)-, (Z,Z)-, 2(3H)-Furanone, dihydro-5-(2Z,5Z)-2,5-octadien-1-yl-, 6,9-DODECADIEN-4-OLIDE, CIS,CIS-, 5-[(2Z,5Z)-octa-2,5-dienyl]oxolan-2-one, SCHEMBL8660973, (Z,Z)-6,9-Dodecadien-4-olid, YNHBLISDDXOUDQ-CWWKMNTPSA-N, (6Z,9Z)-6,9-dodecadien-4-olide, cis,cis-.gamma.-6,9-Dodecadienelactone, Q27256763 |
|---|---|
| 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 | CC1CCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CC/C=CC/C=CCCCCC=O)O5 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Lactones |
| Description | It is used as a food additive . |
| Scaffold Graph Node Level | OC1CCCO1 |
| Classyfire Subclass | Gamma butyrolactones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(2Z,5Z)-octa-2,5-dienyl]oxolan-2-one |
| Class | Lactones |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Gamma butyrolactones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H18O2 |
| Scaffold Graph Node Bond Level | O=C1CCCO1 |
| Inchi Key | YNHBLISDDXOUDQ-CWWKMNTPSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (z,z) 6,9-dodecadien-4-olide |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 6,9-Dodecadien-4-olide, (6Z,9Z)- |
| Kingdom | Organic compounds |
| Exact Mass | 194.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h3-4,6-7,11H,2,5,8-10H2,1H3/b4-3-,7-6- |
| Smiles | CC/C=C\C/C=C\CC1CCC(=O)O1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Gamma butyrolactones |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Polianthes Tuberosa (Plant) Rel Props:Reference:ISBN:9788172362140