5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine

C88H157N9O4S2 — CID 157213407

About 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine

5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine (PubChem CID 157213407) has the molecular formula C88H157N9O4S2 and a molecular weight of 1469.42 g/mol. Its IUPAC name is 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine.

Molecular Properties

• Compound Name: 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine
• PubChem CID: 157213407
• Molecular Formula: C88H157N9O4S2
• Molecular Weight: 1469.42 g/mol
• Exact Mass: 1468.18
• IUPAC Name: 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine
• SMILES: CC.CC(C)C1=C(C(C)C)C(C)(C)OC1=O.CC(C)c1cccnc1C(C)C.CC1C(C)N(C(C)C)N(C(C)C)C1C.Cc1nc(C(C)C)c(C(C)C)o1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nn(C(C)C)c(C(C)C)c1C.Cc1onc(C(C)C)c1C(C)C.Cc1snc(C(C)C)c1C(C)C
• InChI: InChI=1S/C12H26N2.C12H20O2.C11H20N2.C11H17N.2C10H17NO.2C10H17NS.C2H6/c1-8(2)13-11(6)10(5)12(7)14(13)9(3)4;1-7(2)9-10(8(3)4)12(5,6)14-11(9)13;1-7(2)11-9(5)10(6)12-13(11)8(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-2/h8-12H,1-7H3;7-8H,1-6H3;7-8H,1-6H3;5-9H,1-4H3;4*6-7H,1-5H3;1-2H3
• InChIKey: ASDJQRXOUSBIQF-UHFFFAOYSA-N
• XLogP: 27.09
• TPSA: 141.33 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.42
LogP ≤ 5	27.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine?

The IUPAC name of 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine (CID 157213407) is 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine.

What is the SMILES notation for 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine?

The canonical SMILES for 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine is CC.CC(C)C1=C(C(C)C)C(C)(C)OC1=O.CC(C)c1cccnc1C(C)C.CC1C(C)N(C(C)C)N(C(C)C)C1C.Cc1nc(C(C)C)c(C(C)C)o1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nn(C(C)C)c(C(C)C)c1C.Cc1onc(C(C)C)c1C(C)C.Cc1snc(C(C)C)c1C(C)C.

What is the InChIKey of 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine?

The InChIKey is ASDJQRXOUSBIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C12H20O2.C11H20N2.C11H17N.2C10H17NO.2C10H17NS.C2H6/c1-8(2)13-11(6)10(5)12(7)14(13)9(3)4;1-7(2)9-10(8(3)4)12(5,6)14-11(9)13;1-7(2)11-9(5)10(6)12-13(11)8(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-2/h8-12H,1-7H3;7-8H,1-6H3;7-8H,1-6H3;5-9H,1-4H3;4*6-7H,1-5H3;1-2H3.

What are the key properties of 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine?

5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine has a molecular weight of 1469.42 g/mol, XLogP of 27.09, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3,4-di(propan-2-yl)furan-2-one;3,4-dimethyl-1,5-di(propan-2-yl)pyrazole;2,3-di(propan-2-yl)pyridine;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole;3,4,5-trimethyl-1,2-di(propan-2-yl)pyrazolidine is sourced from PubChem (CID 157213407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).