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3-Methyltetradecane

PubChem CID: 86735

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Compound Synonyms 3-Methyltetradecane, Tetradecane, 3-methyl-, 18435-22-8, 3-Methyl-Tetradecane, MSN3UE2UV3, UNII-MSN3UE2UV3, DTXSID10897342, 3-methyl tetradecane, Tetradecane, 3methyl, CHEBI:184718, DTXCID101326707, LMFA11000405, G77645, Q67879605
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Hydrocarbons
Deep Smiles CCCCCCCCCCCCCC))C
Heavy Atom Count 15.0
Classyfire Class Saturated hydrocarbons
Classyfire Subclass Alkanes
Isotope Atom Count 0.0
Molecular Complexity 107.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-methyltetradecane
Prediction Hob 1.0
Class Saturated hydrocarbons
Veber Rule False
Classyfire Superclass Hydrocarbons
Xlogp 8.1
Superclass Hydrocarbons
Subclass Alkanes
Gsk 4 400 Rule False
Molecular Formula C15H32
Prediction Swissadme 0.0
Inchi Key HXUYUZCPGPKNGS-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 1.0
Logs -6.936
Rotatable Bond Count 11.0
Logd 4.991
Synonyms 3-Methyl-tetradecane, 3-methyltetradecane
Esol Class Moderately soluble
Compound Name 3-Methyltetradecane
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 212.25
Formal Charge 0.0
Monoisotopic Mass 212.25
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 212.41
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -5.5025102
Inchi InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3
Smiles CCCCCCCCCCCC(C)CC
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Branched alkanes
Np Classifier Superclass Fatty acyls