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1,3,5-Trimethylcyclohexane

PubChem CID: 35364

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Compound Synonyms 1,3,5-Trimethylcyclohexane, 1839-63-0, 1795-27-3, 1795-26-2, cis-1,3,5-Trimethylcyclohexane, cis,cis,trans-1,3,5-trimethylcyclohexane, CYCLOHEXANE, 1,3,5-TRIMETHYL-, Cis,cis,cis-1,3,5-trimethylcyclohexane, Cyclohexane, 1,3,5-trimethyl-, cis-, EINECS 217-417-0, Cyclohexane, 1,3,5-trimethyl-, trans-, Cyclohexane, 1,3,5-trimethyl-, (1.alpha.,3.alpha.,5.alpha.)-, Cyclohexane, 1,3,5-trimethyl-, (1.alpha.,3.alpha.,5.beta.)-, DTXSID20862763, 1,3,5-trans-Trimethylcyclohexane, 1-trans-3,5-Trimethylcyclohexane, trans-1,3,5-Trimethylcyclohexane, 1alpha,3alpha-5beta-trimethylcyclohexane, 1alpha,3alpha-5alpha-trimethylcyclohexane, 1,3,5-trimethyl-cyclohexane, NSC73968, 1,cis-3,cis-5-Trimethylcyclohexane, MFCD00042625, NSC 73968, 1,cis-3,trans-5-Trimethylcyclohexane, 1,cis-5-Trimethylcyclohexane, cis-1,5-Trimethylcyclohexane, 1,trans-5-Trimethylcyclohexane, 1,3,5-Trimethylcyclohexane #, 1,3,5-cis-Trimethylcyclohexane, (r)-1,3,5-trimethylcyclohexane, Cyclohexane, 1,3,5-trimethyl-, (1alpha,3alpha,5beta)-, DTXCID30811484, ODNRTOSCFYDTKF-FBJIGQNJSA-N, DTXSID801025627, DTXSID901025632, Cyclohexane, 1,3,5trimethyl, cis, Cyclohexane,3,5-trimethyl-, cis-, Cyclohexane, 1,3,5-trimethyl-, (1alpha,3alpha,5beta)-trans-, NSC73969, 1,3(Z),5(E)-Trimethylcyclohexane, 1-cis-3-cis-5-Trimethylcyclohexane, cis,cis-1,3,5-Trimethylcyclohexane, Cyclohexane,3,5-trimethyl-, trans-, LMFA11000642, LMFA11000643, NSC 73969, NSC-73968, NSC-73969, AKOS006274111, AKOS006274112, AKOS024390963, 1,3,5-Trimethylcyclohexane, cis, cis, BS-22667, (1s,3s,5s)-1,3,5-trimethylcyclohexane, Cyclohexane, 1,3,5trimethyl, cis (8CI), NS00046446, T0664, 1,3,5-Trimethylcyclohexane(mixture of isomers), D92376, (1alpha,3alpha,3beta)-1,3,,5-Trimethylcychlohexane, Cyclohexane, 1,3,5trimethyl, (1alpha,3alpha,5alpha), Cyclohexane, 1,3,5-trimethyl-, (1alpha,3alpha,5alpha)-, (1.alpha.,3.alpha.,5.alpha.)-1,3,5-Trimethyl-cyclohexane, Cyclohexane, 1,3,5trimethyl, (1alpha,3alpha,5alpha) (9CI), Cyclohexane,3,5-trimethyl-, (1.alpha.,3.alpha.,5.alpha.)-, Cyclohexane,3,5-trimethyl-, (1.alpha.,3.alpha.,5.beta.)-, 1,3,5-Trimethylcyclohexanel-, (1.alpha.,3.alpha.,5.beta.)- #, Cyclohexane, 1,3,5-trimethyl-, (1.alpha.,3.alpha.,5.alpha.)-cis, 217-417-0, 689-402-0
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 9.0
Isotope Atom Count 0.0
Molecular Complexity 55.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,3,5-trimethylcyclohexane
Prediction Hob 1.0
Xlogp 4.0
Molecular Formula C9H18
Prediction Swissadme 0.0
Inchi Key ODNRTOSCFYDTKF-UHFFFAOYSA-N
Fcsp3 1.0
Logs -4.762
Rotatable Bond Count 0.0
Logd 4.458
Compound Name 1,3,5-Trimethylcyclohexane
Prediction Hob Swissadme 0.0
Exact Mass 126.141
Formal Charge 0.0
Monoisotopic Mass 126.141
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 126.24
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.1490066
Inchi InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3
Smiles CC1CC(CC(C1)C)C
Nring 1.0
Defined Bond Stereocenter Count 0.0

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