1,4-Dimethylcyclohexane
PubChem CID: 11523
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| Compound Synonyms | cis-1,4-Dimethylcyclohexane, 1,4-DIMETHYLCYCLOHEXANE, trans-1,4-Dimethylcyclohexane, 624-29-3, 589-90-2, 2207-04-7, Hexahydroxylene, Cyclohexane, 1,4-dimethyl-, cis-, Cyclohexane, 1,4-dimethyl-, trans-Hexahydro-p-xylene, 1,cis-4-Dimethylcyclohexane, Hexahydro-p-xylene, Cyclohexane, 1,4-dimethyl-, trans-, 1,trans-4-Dimethylcyclohexane, p-Dimethylcyclohexane, 1,4-Dimethylcyclohexane, trans-, 1,4-dimethyl cyclohexane, 1,4-dimethyl-cyclohexane, EINECS 209-663-2, NSC 44845, 8NUV3O4B1R, (1S,4S)-1,4-DIMETHYLCYCLOHEXANE, 1,4-Dimethylcyclohexane, cis-, DTXSID5075284, CHEBI:165732, 4C75P10R7G, NSC-44845, NSC-74160, NSC-74162, 417GE5869Y, (1R,4R)-1,4-DIMETHYLCYCLOHEXANE, t-1,4-Dimethylcyclohexane, Cyclohexane, trans-1,4-dimethyl-, UNII-4C75P10R7G, UNII-417GE5869Y, 1,4-Dimethylcyclohexane, (Z)-, pDimethylcyclohexane, EINECS 210-840-1, MFCD00001508, MFCD00064174, MFCD00064955, NSC 74162, cis-p-hexahydroxylene, cis-hexahydro-p-xylene, trans-p-hexahydroxylene, Cyclohexane, 1,4dimethyl, UNII-8NUV3O4B1R, 1,4(cis)-dimethylcyclohexane, (Z)-1,4-dimethylcyclohexane, WLN: L6TJ A1 D1, 1,4(trans)-dimethylcyclohexane, Cyclohexane,4-dimethyl-, cis-, Trans-1,4 dimethyl cyclohexane, DTXCID1042497, Cyclohexane, cis-1,4-dimethyl-, Cyclohexane,4-dimethyl-, trans-, CHEBI:167602, CHEBI:167603, DTXSID301025608, DTXSID401015836, DTXSID401294608, Cyclohexane, 1,4-dimethyl-(8CI), NSC44845, NSC74160, NSC74162, cis-1,4-Dimethylcyclohexane, 99%, EINECS 218-622-8, LMFA11000638, NSC 74160, AKOS015913044, AKOS015915844, AKOS024319569, Methyl, (4-methylcyclohexyl)-, cis-, TRANS-1,4-DIMETHYL-CYCLOHEXANE, 1,4-DIMETHYLCYCLOHEXANE (TRANS), AS-46786, BS-52912, Cyclohexane, 1,4-dimethyl-(8CI)(9CI), LS-13501, CYCLOHEXANE, 1,4-DIMETHYL-, (E), CYCLOHEXANE, 1,4-DIMETHYL-, (Z), DB-054159, CS-0199036, CS-0454408, D0271, D0700, D1715, NS00034057, NS00080358, NS00083319, D89704, D89914, F10496, 1,4Dimethylcyclohexane, mixture of cis and trans, trans-1,4-Dimethylcyclohexane, >=98.0% (GC), Q27258413, Q27270796, 209-663-2, 98105-53-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Hydrocarbons, Menthane monoterpenoids |
| Deep Smiles | CCCCCCC6))C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cycloalkanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethylcyclohexane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | QRMPKOFEUHIBNM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclohexane,1,4-dimethyl |
| Esol Class | Soluble |
| Compound Name | 1,4-Dimethylcyclohexane |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3 |
| Smiles | CC1CCC(CC1)C |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls, Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1010605