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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