Cyclopentadecanone
PubChem CID: 10409
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| Compound Synonyms | CYCLOPENTADECANONE, 502-72-7, Exaltone, Normuscone, Normuscon, EINECS 207-951-2, UNII-T09G246LET, MFCD00001266, NSC 63900, BRN 1618444, T09G246LET, DTXSID2047141, AI3-37209, NSC-63900, DTXCID0027141, CPE-218, 4-07-00-00113 (Beilstein Handbook Reference), Exalton, cyclopentadecanon, cylcopentadecanone, NSC63900, Cyclopentadecanone, 98%, NCIOpen2_002840, SCHEMBL111707, WLN: L-15 VTJ, CHEMBL3188770, CYCLOPENTADECANONE [INCI], Tox21_302465, AKOS015964063, AC-9863, NCGC00256661-01, AS-57009, CAS-502-72-7, SY048774, DB-051749, C1422, CS-0204727, NS00012174, D78409, Q27289500, 207-951-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCCCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | O=CCCCCCCCCCCCCCC%15 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCCCCCCCCCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 156.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19838 |
| Iupac Name | cyclopentadecanone |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 5.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H28O |
| Scaffold Graph Node Bond Level | O=C1CCCCCCCCCCCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OSOIQJGOYGSIMF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.9333333333333332 |
| Logs | -4.807 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.009 |
| Synonyms | cyclopentadecanone |
| Esol Class | Moderately soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Cyclopentadecanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.38 |
| 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 |
| Esol | -4.8915055999999995 |
| Inchi | InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2 |
| Smiles | C1CCCCCCCC(=O)CCCCCC1 |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
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