1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
C226H368N21O4S4+17 — CID 157345363
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
SMILESCC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H30.C15H27N2.C15H21N2.C15H24N.C15H18N.C14H25N2.C14H22N.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H20NS.C10H19N2.C10H21N.C10H16N.C8H14NO.C8H14NS/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;2*1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-4-11-7-8-12(9-11)6-5-10(2)3;2*1-10(2)6-9-11-7-4-3-5-8-11;2*1-8(2)3-4-9-5-6-10-7-9/h13-16H,3-12H2,1-2H3;9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;2*5-6,9-12H,3-4,7-8H2,1-2H3;7-10H,4-6H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;2*5-8H,3-4H2,1-2H3/q;13*+1;;3*+1/p+1
InChIKeyBGWZHJRGPMREBE-UHFFFAOYSA-O
MW3571.84 g/mol
LogP51.02
Rot. Bonds58
About 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium (PubChem CID 157345363) has the molecular formula C226H368N21O4S4+17 and a molecular weight of 3571.84 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium.
Molecular Properties
| Compound Name | 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium |
|---|---|
| PubChem CID | 157345363 |
| Molecular Formula | C226H368N21O4S4+17 |
| Molecular Weight | 3571.84 g/mol |
| Exact Mass | 3568.80 |
| IUPAC Name | 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium |
| SMILES | CC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1 |
| InChI | InChI=1S/C16H30.C15H27N2.C15H21N2.C15H24N.C15H18N.C14H25N2.C14H22N.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H20NS.C10H19N2.C10H21N.C10H16N.C8H14NO.C8H14NS/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;2*1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-4-11-7-8-12(9-11)6-5-10(2)3;2*1-10(2)6-9-11-7-4-3-5-8-11;2*1-8(2)3-4-9-5-6-10-7-9/h13-16H,3-12H2,1-2H3;9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;2*5-6,9-12H,3-4,7-8H2,1-2H3;7-10H,4-6H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;2*5-8H,3-4H2,1-2H3/q;13*+1;;3*+1/p+1 |
| InChIKey | BGWZHJRGPMREBE-UHFFFAOYSA-O |
| XLogP | 51.02 |
| TPSA | 138.80 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 255 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3571.84 |
| LogP ≤ 5 | 51.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium (CID 157345363) is 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The canonical SMILES for 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium is CC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The InChIKey is BGWZHJRGPMREBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H30.C15H27N2.C15H21N2.C15H24N.C15H18N.C14H25N2.C14H22N.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H20NS.C10H19N2.C10H21N.C10H16N.C8H14NO.C8H14NS/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;2*1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-4-11-7-8-12(9-11)6-5-10(2)3;2*1-10(2)6-9-11-7-4-3-5-8-11;2*1-8(2)3-4-9-5-6-10-7-9/h13-16H,3-12H2,1-2H3;9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;2*5-6,9-12H,3-4,7-8H2,1-2H3;7-10H,4-6H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;2*5-8H,3-4H2,1-2H3/q;13*+1;;3*+1/p+1.
What are the key properties of 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium has a molecular weight of 3571.84 g/mol, XLogP of 51.02, 58 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium is sourced from PubChem (CID 157345363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157345363 — identifiers, structure, computed properties (public domain)
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