1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane

C145H248BrClFN3O4 — CID 160640347

About 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane

1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane (PubChem CID 160640347) has the molecular formula C145H248BrClFN3O4 and a molecular weight of 2231.95 g/mol. Its IUPAC name is 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane.

Molecular Properties

• Compound Name: 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane
• PubChem CID: 160640347
• Molecular Formula: C145H248BrClFN3O4
• Molecular Weight: 2231.95 g/mol
• Exact Mass: 2228.82
• IUPAC Name: 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane
• SMILES: CC(C)(C)CCC(C)(C)C.CC(C)(C)CCCCO.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCc1ccccn1.CC(C)(C)Cc1ccc(Br)cc1.CC(C)(C)Cc1ccc(Cl)cc1.CC1CCCCN1CCCC(C)(C)C.CCC(C)(C)C.COc1c(C)cccc1CCC(C)(C)C.COc1ccc(CC(C)(C)C)cc1.Cc1cc(CO)cc(CC(C)(C)C)c1.Cc1ccc(CCC(C)(C)C)cc1.Cc1cccc(F)c1CC(C)(C)C
• InChI: InChI=1S/C14H22O.C13H27N.C13H20O.C13H20.C12H17F.C12H18O.C11H15Br.C11H15Cl.C11H17N.C11H23N.C10H22.C8H18O.C6H14/c1-11-7-6-8-12(13(11)15-5)9-10-14(2,3)4;1-12-8-5-6-10-14(12)11-7-9-13(2,3)4;1-10-5-11(8-13(2,3)4)7-12(6-10)9-14;1-11-5-7-12(8-6-11)9-10-13(2,3)4;1-9-6-5-7-11(13)10(9)8-12(2,3)4;1-12(2,3)9-10-5-7-11(13-4)8-6-10;2*1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)7-10-12-8-5-4-6-9-12;1-9(2,3)7-8-10(4,5)6;1-8(2,3)6-4-5-7-9;1-5-6(2,3)4/h6-8H,9-10H2,1-5H3;12H,5-11H2,1-4H3;5-7,14H,8-9H2,1-4H3;5-8H,9-10H2,1-4H3;5-7H,8H2,1-4H3;5-8H,9H2,1-4H3;2*4-7H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;4-10H2,1-3H3;7-8H2,1-6H3;9H,4-7H2,1-3H3;5H2,1-4H3
• InChIKey: RJCBSWXCCKUERT-UHFFFAOYSA-N
• XLogP: 44.16
• TPSA: 78.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2231.95
LogP ≤ 5	44.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane?

The IUPAC name of 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane (CID 160640347) is 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane.

What is the SMILES notation for 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane?

The canonical SMILES for 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane is CC(C)(C)CCC(C)(C)C.CC(C)(C)CCCCO.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCc1ccccn1.CC(C)(C)Cc1ccc(Br)cc1.CC(C)(C)Cc1ccc(Cl)cc1.CC1CCCCN1CCCC(C)(C)C.CCC(C)(C)C.COc1c(C)cccc1CCC(C)(C)C.COc1ccc(CC(C)(C)C)cc1.Cc1cc(CO)cc(CC(C)(C)C)c1.Cc1ccc(CCC(C)(C)C)cc1.Cc1cccc(F)c1CC(C)(C)C.

What is the InChIKey of 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane?

The InChIKey is RJCBSWXCCKUERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C13H27N.C13H20O.C13H20.C12H17F.C12H18O.C11H15Br.C11H15Cl.C11H17N.C11H23N.C10H22.C8H18O.C6H14/c1-11-7-6-8-12(13(11)15-5)9-10-14(2,3)4;1-12-8-5-6-10-14(12)11-7-9-13(2,3)4;1-10-5-11(8-13(2,3)4)7-12(6-10)9-14;1-11-5-7-12(8-6-11)9-10-13(2,3)4;1-9-6-5-7-11(13)10(9)8-12(2,3)4;1-12(2,3)9-10-5-7-11(13-4)8-6-10;2*1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)8-7-10-6-4-5-9-12-10;1-11(2,3)7-10-12-8-5-4-6-9-12;1-9(2,3)7-8-10(4,5)6;1-8(2,3)6-4-5-7-9;1-5-6(2,3)4/h6-8H,9-10H2,1-5H3;12H,5-11H2,1-4H3;5-7,14H,8-9H2,1-4H3;5-8H,9-10H2,1-4H3;5-7H,8H2,1-4H3;5-8H,9H2,1-4H3;2*4-7H,8H2,1-3H3;4-6,9H,7-8H2,1-3H3;4-10H2,1-3H3;7-8H2,1-6H3;9H,4-7H2,1-3H3;5H2,1-4H3.

What are the key properties of 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane?

1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane has a molecular weight of 2231.95 g/mol, XLogP of 44.16, 23 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(2,2-dimethylpropyl)benzene;1-chloro-4-(2,2-dimethylpropyl)benzene;2,2-dimethylbutane;1-(3,3-dimethylbutyl)-2-methoxy-3-methylbenzene;1-(3,3-dimethylbutyl)-4-methylbenzene;1-(3,3-dimethylbutyl)piperidine;2-(3,3-dimethylbutyl)pyridine;5,5-dimethylhexan-1-ol;1-(4,4-dimethylpentyl)-2-methylpiperidine;2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;[3-(2,2-dimethylpropyl)-5-methylphenyl]methanol;2,2,5,5-tetramethylhexane is sourced from PubChem (CID 160640347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).