Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium
C196H348N13O4S7+13 — CID 158812426
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACmethane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CCS2)CC1.CC(C)C1CCC(C[NH+]2C=CCS2)C1.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+]1C=CCS1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(CC2C=CCS2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1
InChIInChI=1S/C15H24N.C15H18N.C14H22N.C14H24S.C14H18S.C13H22NO.C13H16NO.C13H22NS.C12H20NO.C12H21NS.C12H20NS.C10H16N.C8H14NO.C8H15NS.C8H14NS.15CH4/c2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;3*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)12-5-4-11(8-12)9-13-6-3-7-14-13;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)3-4-9-5-6-10-7-9;1-8(2)4-6-9-5-3-7-10-9;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;;/h3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-4,11-14H,5-10H2,1-2H3;3-8,11,14H,9-10H2,1-2H3;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;5-6,9-12H,3-4,7-8H2,1-2H3;3,6,10-12H,4-5,7-9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;5-8H,3-4H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;15*1H4/q3*+1;;;4*+1;;3*+1;;+1;;;;;;;;;;;;;;;/p+2
InChIKeyIUVWCQPFYDUHFR-UHFFFAOYSA-P
MW3175.50 g/mol
LogP51.65
Rot. Bonds45
About Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium
Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium (PubChem CID 158812426) has the molecular formula C196H348N13O4S7+13 and a molecular weight of 3175.50 g/mol. Its IUPAC name is methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium.
Molecular Properties
| Compound Name | Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium |
|---|---|
| PubChem CID | 158812426 |
| Molecular Formula | C196H348N13O4S7+13 |
| Molecular Weight | 3175.50 g/mol |
| Exact Mass | 3172.54 |
| IUPAC Name | methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CCS2)CC1.CC(C)C1CCC(C[NH+]2C=CCS2)C1.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+]1C=CCS1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(CC2C=CCS2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1 |
| InChI | InChI=1S/C15H24N.C15H18N.C14H22N.C14H24S.C14H18S.C13H22NO.C13H16NO.C13H22NS.C12H20NO.C12H21NS.C12H20NS.C10H16N.C8H14NO.C8H15NS.C8H14NS.15CH4/c2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;3*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)12-5-4-11(8-12)9-13-6-3-7-14-13;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)3-4-9-5-6-10-7-9;1-8(2)4-6-9-5-3-7-10-9;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;;/h3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-4,11-14H,5-10H2,1-2H3;3-8,11,14H,9-10H2,1-2H3;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;5-6,9-12H,3-4,7-8H2,1-2H3;3,6,10-12H,4-5,7-9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;5-8H,3-4H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;15*1H4/q3*+1;;;4*+1;;3*+1;;+1;;;;;;;;;;;;;;;/p+2 |
| InChIKey | IUVWCQPFYDUHFR-UHFFFAOYSA-P |
| XLogP | 51.65 |
| TPSA | 104.12 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 220 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3175.50 |
| LogP ≤ 5 | 51.65 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?
The IUPAC name of Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium (CID 158812426) is methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium.
What is the SMILES notation for Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?
The canonical SMILES for Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(CC2C=CCS2)CC1.CC(C)C1CCC(C[NH+]2C=CCS2)C1.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+]1C=CCS1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(CC2C=CCS2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.
What is the InChIKey of Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?
The InChIKey is IUVWCQPFYDUHFR-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H24N.C15H18N.C14H22N.C14H24S.C14H18S.C13H22NO.C13H16NO.C13H22NS.C12H20NO.C12H21NS.C12H20NS.C10H16N.C8H14NO.C8H15NS.C8H14NS.15CH4/c2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;2*1-11(2)13-7-5-12(6-8-13)10-14-4-3-9-15-14;3*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)12-5-4-11(8-12)9-13-6-3-7-14-13;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)3-4-9-5-6-10-7-9;1-8(2)4-6-9-5-3-7-10-9;1-8(2)3-4-9-5-6-10-7-9;;;;;;;;;;;;;;;/h3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;3-4,11-14H,5-10H2,1-2H3;3-8,11,14H,9-10H2,1-2H3;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;5-6,9-12H,3-4,7-8H2,1-2H3;3,6,10-12H,4-5,7-9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;5-8H,3-4H2,1-2H3;3,5,8H,4,6-7H2,1-2H3;5-8H,3-4H2,1-2H3;15*1H4/q3*+1;;;4*+1;;3*+1;;+1;;;;;;;;;;;;;;;/p+2.
What are the key properties of Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?
Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium has a molecular weight of 3175.50 g/mol, XLogP of 51.65, 45 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for Methane;2-(3-methylbutyl)-2,5-dihydro-1,2-thiazol-2-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;2-[(4-propan-2-ylcyclohexyl)methyl]-2,5-dihydrothiophene;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;2-[(3-propan-2-ylcyclopentyl)methyl]-2,5-dihydro-1,2-thiazol-2-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;2-[(4-propan-2-ylphenyl)methyl]-2,5-dihydrothiophene;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium is sourced from PubChem (CID 158812426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158812426 — identifiers, structure, computed properties (public domain)
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