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2-Methyldodecane

PubChem CID: 15270

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Compound Synonyms 2-METHYLDODECANE, 1560-97-0, Dodecane, 2-methyl-, 11-Methyldodecane, 2-Methyl-Dodecane, UNII-A6360WD7Y3, A6360WD7Y3, DTXSID20873238, Undecane, dimethyl-, C12-14 Isoparaffin, UNII-WP37Z9V66A, Dodecane, 2methyl, EINECS 271-369-5, EC 271-369-5, DTXCID108714, WP37Z9V66A, AKOS006274877, NS00013420, Q27273678, 680-565-3
Ghose Rule True
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 CCCCCCCCCCCC)C
Heavy Atom Count 13.0
Classyfire Class Saturated hydrocarbons
Classyfire Subclass Alkanes
Isotope Atom Count 0.0
Molecular Complexity 84.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-methyldodecane
Prediction Hob 1.0
Class Saturated hydrocarbons
Veber Rule True
Classyfire Superclass Hydrocarbons
Xlogp 7.0
Superclass Hydrocarbons
Subclass Alkanes
Gsk 4 400 Rule False
Molecular Formula C13H28
Prediction Swissadme 0.0
Inchi Key HGEMCUOAMCILCP-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 1.0
Logs -6.689
Rotatable Bond Count 9.0
Logd 4.933
Synonyms 11-Methyldodecane, 2-Methyl-dodecane, C12-14-Iso-alkanes, 2-methyldodecane
Esol Class Moderately soluble
Compound Name 2-Methyldodecane
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 184.219
Formal Charge 0.0
Monoisotopic Mass 184.219
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 184.36
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -4.780175399999999
Inchi InChI=1S/C13H28/c1-4-5-6-7-8-9-10-11-12-13(2)3/h13H,4-12H2,1-3H3
Smiles CCCCCCCCCCC(C)C
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