(Z)-9-cycloheptadecen-1-one
PubChem CID: 11334208
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| Compound Synonyms | (Z)-9-Cycloheptadecen-1-one, (9E)-cycloheptadec-9-en-1-one, Zibeton, 9-CYCLOHEPTADECEN-1-ONE, cis-9-Cycloheptadecen-1-one, trans-9-cycloheptadecen-1-one, (9Z)-9-Cycloheptadecen-1-one, alpha-trans-Civettone, 1502-37-0, SCHEMBL272370, FEMA 3425, CHEBI:172492, NS00012121 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Description | Flavouring ingredient |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E)-cycloheptadec-9-en-1-one |
| Prediction Hob | 1.0 |
| Class | Carbonyl compounds |
| Xlogp | 6.1 |
| Superclass | Organooxygen compounds |
| Subclass | Ketones |
| Molecular Formula | C17H30O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKVZSBSZTMPBQR-OWOJBTEDSA-N |
| Fcsp3 | 0.8235294117647058 |
| Logs | -4.964 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 0.526 |
| Synonyms | (9Z)-9-Cycloheptadecen-1-one, (Z)-9-Cycloheptadecen-1-one, 9-Cycloheptadecen-1-one, 9-Cycloheptadecen-1-one, (9Z)-, 9-Cycloheptadecen-1-one, (Z)-, 9-Cycloheptadecen-1-one, cis-, alpha-trans-Civettone, cis-9-Cycloheptadecen-1-one, Cis-civetone, Civetone, Civettone, alpha-trans-, cycloheptadeca-9-en-1-one, FEMA 3425, Zibeton, cis-Civetone, Cycloheptadeca-9-en-1-one, Civetone, (Z)-isomer |
| Substituent Name | Cyclic ketone, Hydrocarbon derivative, Aliphatic homomonocyclic compound |
| Compound Name | (Z)-9-cycloheptadecen-1-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 250.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -5.241941199999999 |
| Inchi | InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1+ |
| Smiles | C1CCC/C=C/CCCCCCCC(=O)CCC1 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Cyclic ketones |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients