3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane
C175H294N24O6S2 — CID 158219594
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CC(C)CC(C)n1cncn1.CC(C)CCCN1CCCC1=O.CC(C)CCCc1ccccn1.CC(C)CCCc1ccn(C)c1.CC(C)CCN1C(=O)CCC1=O.CC(C)CCN1CCCC1=O.CC(C)CCSc1ncnn1C.CC(C)CCc1ccccn1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.CC(C)[C@@H]1CC[C@@H](n2cccc2)[C@@H]1O.CC(C)c1ccc(Cn2ccnc2)cc1.CCc1cnc(C(C)C)s1.Cc1[nH]ccc1/C=C/CC(C)C.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C
InChIInChI=1S/C13H16N2.C12H19NO.2C11H19N.2C11H17N.C10H16N2.C10H18N2.C10H19NO.C10H15N.C9H16N2.C9H15NO2.C9H17NO.C8H15N3S.C8H15N3.C8H13NS.C8H12O.C7H16/c1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-9(2)10-5-6-11(12(10)14)13-7-3-4-8-13;1-10(2)5-4-6-11-7-8-12(3)9-11;2*1-9(2)5-4-6-11-7-8-12-10(11)3;1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-3-7-11-8-4-6-10(11)12;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)5-7-11-9(3)4-6-10-11;1-7(2)5-6-10-8(11)3-4-9(10)12;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-5-12-8-9-6-10-11(8)3;1-7(2)4-8(3)11-6-9-5-10-11;1-4-7-5-9-8(10-7)6(2)3;1-7(2)6-8-4-3-5-9-8;1-6(2)7(3,4)5/h3-8,10-11H,9H2,1-2H3;3-4,7-12,14H,5-6H2,1-2H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;4,6-9,12H,5H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;4,6,8H,5,7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;5-8H,4H2,1-3H3;5-6H,4H2,1-3H3;3-5,7H,6H2,1-2H3;6H,1-5H3/b;;;;6-4+;;;;;;;;;;;;;/t;10-,11+,12+;;;;;8-,10-;;;;;;;;;;;/m.0....0.........../s1
InChIKeyGDBUGLABBPIXSX-AJKNYNEDSA-N
MW2894.57 g/mol
LogP44.99
Rot. Bonds53
About 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane
3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane (PubChem CID 158219594) has the molecular formula C175H294N24O6S2 and a molecular weight of 2894.57 g/mol. Its IUPAC name is 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane.
Molecular Properties
| Compound Name | 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane |
|---|---|
| PubChem CID | 158219594 |
| Molecular Formula | C175H294N24O6S2 |
| Molecular Weight | 2894.57 g/mol |
| Exact Mass | 2892.29 |
| IUPAC Name | 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane |
| SMILES | CC(C)C(C)(C)C.CC(C)CC(C)n1cncn1.CC(C)CCCN1CCCC1=O.CC(C)CCCc1ccccn1.CC(C)CCCc1ccn(C)c1.CC(C)CCN1C(=O)CCC1=O.CC(C)CCN1CCCC1=O.CC(C)CCSc1ncnn1C.CC(C)CCc1ccccn1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.CC(C)[C@@H]1CC[C@@H](n2cccc2)[C@@H]1O.CC(C)c1ccc(Cn2ccnc2)cc1.CCc1cnc(C(C)C)s1.Cc1[nH]ccc1/C=C/CC(C)C.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C |
| InChI | InChI=1S/C13H16N2.C12H19NO.2C11H19N.2C11H17N.C10H16N2.C10H18N2.C10H19NO.C10H15N.C9H16N2.C9H15NO2.C9H17NO.C8H15N3S.C8H15N3.C8H13NS.C8H12O.C7H16/c1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-9(2)10-5-6-11(12(10)14)13-7-3-4-8-13;1-10(2)5-4-6-11-7-8-12(3)9-11;2*1-9(2)5-4-6-11-7-8-12-10(11)3;1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-3-7-11-8-4-6-10(11)12;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)5-7-11-9(3)4-6-10-11;1-7(2)5-6-10-8(11)3-4-9(10)12;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-5-12-8-9-6-10-11(8)3;1-7(2)4-8(3)11-6-9-5-10-11;1-4-7-5-9-8(10-7)6(2)3;1-7(2)6-8-4-3-5-9-8;1-6(2)7(3,4)5/h3-8,10-11H,9H2,1-2H3;3-4,7-12,14H,5-6H2,1-2H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;4,6-9,12H,5H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;4,6,8H,5,7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;5-8H,4H2,1-3H3;5-6H,4H2,1-3H3;3-5,7H,6H2,1-2H3;6H,1-5H3/b;;;;6-4+;;;;;;;;;;;;;/t;10-,11+,12+;;;;;8-,10-;;;;;;;;;;;/m.0....0.........../s1 |
| InChIKey | GDBUGLABBPIXSX-AJKNYNEDSA-N |
| XLogP | 44.99 |
| TPSA | 335.04 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 207 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2894.57 |
| LogP ≤ 5 | 44.99 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 26 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane?
The IUPAC name of 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane (CID 158219594) is 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane.
What is the SMILES notation for 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane?
The canonical SMILES for 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CC(C)CC(C)n1cncn1.CC(C)CCCN1CCCC1=O.CC(C)CCCc1ccccn1.CC(C)CCCc1ccn(C)c1.CC(C)CCN1C(=O)CCC1=O.CC(C)CCN1CCCC1=O.CC(C)CCSc1ncnn1C.CC(C)CCc1ccccn1.CC(C)C[C@H]1C[C@@H]1c1cn[nH]c1.CC(C)Cc1ccco1.CC(C)[C@@H]1CC[C@@H](n2cccc2)[C@@H]1O.CC(C)c1ccc(Cn2ccnc2)cc1.CCc1cnc(C(C)C)s1.Cc1[nH]ccc1/C=C/CC(C)C.Cc1[nH]ccc1CCCC(C)C.Cc1cc(C)n(CCC(C)C)n1.Cc1ccnn1CCC(C)C.
What is the InChIKey of 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane?
The InChIKey is GDBUGLABBPIXSX-AJKNYNEDSA-N. The full InChI is InChI=1S/C13H16N2.C12H19NO.2C11H19N.2C11H17N.C10H16N2.C10H18N2.C10H19NO.C10H15N.C9H16N2.C9H15NO2.C9H17NO.C8H15N3S.C8H15N3.C8H13NS.C8H12O.C7H16/c1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-9(2)10-5-6-11(12(10)14)13-7-3-4-8-13;1-10(2)5-4-6-11-7-8-12(3)9-11;2*1-9(2)5-4-6-11-7-8-12-10(11)3;1-10(2)6-5-8-11-7-3-4-9-12-11;1-7(2)3-8-4-10(8)9-5-11-12-6-9;1-8(2)5-6-12-10(4)7-9(3)11-12;1-9(2)5-3-7-11-8-4-6-10(11)12;1-9(2)6-7-10-5-3-4-8-11-10;1-8(2)5-7-11-9(3)4-6-10-11;1-7(2)5-6-10-8(11)3-4-9(10)12;1-8(2)5-7-10-6-3-4-9(10)11;1-7(2)4-5-12-8-9-6-10-11(8)3;1-7(2)4-8(3)11-6-9-5-10-11;1-4-7-5-9-8(10-7)6(2)3;1-7(2)6-8-4-3-5-9-8;1-6(2)7(3,4)5/h3-8,10-11H,9H2,1-2H3;3-4,7-12,14H,5-6H2,1-2H3;7-10H,4-6H2,1-3H3;7-9,12H,4-6H2,1-3H3;4,6-9,12H,5H2,1-3H3;3-4,7,9-10H,5-6,8H2,1-2H3;5-8,10H,3-4H2,1-2H3,(H,11,12);7-8H,5-6H2,1-4H3;9H,3-8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;4,6,8H,5,7H2,1-3H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;6-7H,4-5H2,1-3H3;5-8H,4H2,1-3H3;5-6H,4H2,1-3H3;3-5,7H,6H2,1-2H3;6H,1-5H3/b;;;;6-4+;;;;;;;;;;;;;/t;10-,11+,12+;;;;;8-,10-;;;;;;;;;;;/m.0....0.........../s1.
What are the key properties of 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane?
3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane has a molecular weight of 2894.57 g/mol, XLogP of 44.99, 53 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(3-methylbutyl)pyrazole;5-ethyl-2-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidine-2,5-dione;1-(3-methylbutyl)pyrrolidin-2-one;5-methyl-1-(3-methylbutyl)pyrazole;1-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazole;2-methyl-3-[(E)-4-methylpent-1-enyl]-1H-pyrrole;1-methyl-3-(4-methylpentyl)pyrrole;2-methyl-3-(4-methylpentyl)-1H-pyrrole;1-(4-methylpentan-2-yl)-1,2,4-triazole;2-(4-methylpentyl)pyridine;1-(4-methylpentyl)pyrrolidin-2-one;4-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]-1H-pyrazole;2-(2-methylpropyl)furan;1-[(4-propan-2-ylphenyl)methyl]imidazole;(1R,2S,5R)-2-propan-2-yl-5-pyrrol-1-ylcyclopentan-1-ol;2,2,3-trimethylbutane is sourced from PubChem (CID 158219594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158219594 — identifiers, structure, computed properties (public domain)
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