Cyclodecanone
PubChem CID: 73918
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| Compound Synonyms | CYCLODECANONE, 1502-06-3, UNII-3N73MQZ9ZJ, 3N73MQZ9ZJ, EINECS 216-119-8, MFCD00003713, NSC 90293, NSC-90293, SXOZDDAFVJANJP-UHFFFAOYSA-, DTXSID60164490, cyclodecan-1-one, cyclodecanon, NSC90293, Cyclodecanone, 97%, SCHEMBL1667004, DTXCID4086981, AKOS009156487, AS-56504, SY122092, DB-007371, NS00024913, EN300-61158, G22366, A1-50295, Q20054512, 216-119-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | O=CCCCCCCCCC%10 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCCCCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 106.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclodecanone |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | O=C1CCCCCCCCC1 |
| Inchi Key | SXOZDDAFVJANJP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | c10h180, c10h18o, cyclodecanone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Cyclodecanone |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| 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/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2 |
| Smiles | C1CCCCC(=O)CCCC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730020207 - 2. Outgoing r'ship
FOUND_INto/from Chrysophyllum Cainito (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1116 - 3. Outgoing r'ship
FOUND_INto/from Elsholtzia Eriostachya (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698130 - 4. Outgoing r'ship
FOUND_INto/from Eucalyptus Camaldulensis (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199605)11:3<145::aid-ffj565>3.0.co;2-o - 5. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199605)11:3<145::aid-ffj565>3.0.co;2-o - 6. Outgoing r'ship
FOUND_INto/from Leucanthemum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1388751 - 7. Outgoing r'ship
FOUND_INto/from Selinum Wallichianum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1335242