2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane)

C164H323N11O11 — CID 157359761

About 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane)

2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane) (PubChem CID 157359761) has the molecular formula C164H323N11O11 and a molecular weight of 2625.45 g/mol. Its IUPAC name is 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane).

Molecular Properties

• Compound Name: 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane)
• PubChem CID: 157359761
• Molecular Formula: C164H323N11O11
• Molecular Weight: 2625.45 g/mol
• Exact Mass: 2623.51
• IUPAC Name: 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane)
• SMILES: CC(C)(C)CCCCCC(C)(C)C.CC(C)(C)CCCCCC(C)(C)C.CC(C)(C)CCCCOC(C)(C)C.CC(C)(C)CCCNC(C)(C)C.CC(C)(C)Cc1cc(CC(C)(C)C)on1.CC(C)(C)Cc1cc(CC(C)(C)C)on1.CC(C)(C)Cc1coc(CC(C)(C)C)n1.CC(C)(C)Cc1coc(CC(C)(C)C)n1.CC(C)(C)Cc1nnc(CC(C)(C)C)o1.CC(C)(C)Cc1noc(CC(C)(C)C)n1.CC(C)(C)Cc1noc(CC(C)(C)C)n1.CCC.CCC.C[C@@H]1C[C@@H](O)[C@H](CC(C)(C)C)O1.C[C@H]1C[C@@H](CC(C)(C)C)[C@H](O)C1
• InChI: InChI=1S/4C13H23NO.2C13H28.3C12H22N2O.C12H26O.C11H25N.C11H22O.C10H20O2.2C3H8/c2*1-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;2*1-12(2,3)8-10-7-11(15-14-10)9-13(4,5)6;2*1-12(2,3)10-8-7-9-11-13(4,5)6;1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6;2*1-11(2,3)7-9-13-10(15-14-9)8-12(4,5)6;1-11(2,3)9-7-8-10-13-12(4,5)6;1-10(2,3)8-7-9-12-11(4,5)6;1-8-5-9(10(12)6-8)7-11(2,3)4;1-7-5-8(11)9(12-7)6-10(2,3)4;2*1-3-2/h2*9H,7-8H2,1-6H3;2*7H,8-9H2,1-6H3;2*7-11H2,1-6H3;3*7-8H2,1-6H3;7-10H2,1-6H3;12H,7-9H2,1-6H3;8-10,12H,5-7H2,1-4H3;7-9,11H,5-6H2,1-4H3;2*3H2,1-2H3/t;;;;;;;;;;;8-,9-,10+;7-,8-,9+;;/m...........01../s1
• InChIKey: BIMPTJKSOWOADK-KDDXBOBMSA-N
• XLogP: 50.05
• TPSA: 291.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.45
LogP ≤ 5	50.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane)?

The IUPAC name of 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane) (CID 157359761) is 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane).

What is the SMILES notation for 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane)?

The canonical SMILES for 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane) is CC(C)(C)CCCCCC(C)(C)C.CC(C)(C)CCCCCC(C)(C)C.CC(C)(C)CCCCOC(C)(C)C.CC(C)(C)CCCNC(C)(C)C.CC(C)(C)Cc1cc(CC(C)(C)C)on1.CC(C)(C)Cc1cc(CC(C)(C)C)on1.CC(C)(C)Cc1coc(CC(C)(C)C)n1.CC(C)(C)Cc1coc(CC(C)(C)C)n1.CC(C)(C)Cc1nnc(CC(C)(C)C)o1.CC(C)(C)Cc1noc(CC(C)(C)C)n1.CC(C)(C)Cc1noc(CC(C)(C)C)n1.CCC.CCC.C[C@@H]1C[C@@H](O)[C@H](CC(C)(C)C)O1.C[C@H]1C[C@@H](CC(C)(C)C)[C@H](O)C1.

What is the InChIKey of 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane)?

The InChIKey is BIMPTJKSOWOADK-KDDXBOBMSA-N. The full InChI is InChI=1S/4C13H23NO.2C13H28.3C12H22N2O.C12H26O.C11H25N.C11H22O.C10H20O2.2C3H8/c2*1-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;2*1-12(2,3)8-10-7-11(15-14-10)9-13(4,5)6;2*1-12(2,3)10-8-7-9-11-13(4,5)6;1-11(2,3)7-9-13-14-10(15-9)8-12(4,5)6;2*1-11(2,3)7-9-13-10(15-14-9)8-12(4,5)6;1-11(2,3)9-7-8-10-13-12(4,5)6;1-10(2,3)8-7-9-12-11(4,5)6;1-8-5-9(10(12)6-8)7-11(2,3)4;1-7-5-8(11)9(12-7)6-10(2,3)4;2*1-3-2/h2*9H,7-8H2,1-6H3;2*7H,8-9H2,1-6H3;2*7-11H2,1-6H3;3*7-8H2,1-6H3;7-10H2,1-6H3;12H,7-9H2,1-6H3;8-10,12H,5-7H2,1-4H3;7-9,11H,5-6H2,1-4H3;2*3H2,1-2H3/t;;;;;;;;;;;8-,9-,10+;7-,8-,9+;;/m...........01../s1.

What are the key properties of 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane)?

2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane) has a molecular weight of 2625.45 g/mol, XLogP of 50.05, 31 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;bis(3,5-bis(2,2-dimethylpropyl)-1,2,4-oxadiazole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);N-tert-butyl-4,4-dimethylpentan-1-amine;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;(1R,2S,4S)-2-(2,2-dimethylpropyl)-4-methylcyclopentan-1-ol;(2S,3R,5R)-2-(2,2-dimethylpropyl)-5-methyloxolan-3-ol;propane;bis(2,2,8,8-tetramethylnonane) is sourced from PubChem (CID 157359761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).