2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene

C234H447Cl4F5O3 — CID 159715518

About 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene

2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene (PubChem CID 159715518) has the molecular formula C234H447Cl4F5O3 and a molecular weight of 3545.95 g/mol. Its IUPAC name is 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene.

Molecular Properties

• Compound Name: 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene
• PubChem CID: 159715518
• Molecular Formula: C234H447Cl4F5O3
• Molecular Weight: 3545.95 g/mol
• Exact Mass: 3541.35
• IUPAC Name: 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene
• SMILES: C=C(C)CC(C)(C)C.C=CC(c1ccccc1)C(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCCC1.CC(C)(C)CC(C)(C)C.CC(C)(C)Cc1ccc(Cl)cc1.CC(C)(C)Cc1ccc(Cl)cc1Cl.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccc(F)cc1C(F)(F)F.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC(C)(C)C.CCC(CC)C(C)(C)C.CCCC(C)(C)C.CCCC(C)(C)C.CCCC(C)(C)C.CCCCC(C)(C)C.COCC(C)C(C)(C)C.COCCC(C)(C)C.COCCCC(C)(C)C
• InChI: InChI=1S/C14H22.C13H18.C12H14F4.C11H14Cl2.C11H15Cl.C11H15F.C11H20.C10H13Cl.C10H20.3C9H20.2C8H18O.C8H18.C8H16.2C8H18.C7H16O.4C7H16.2C6H14.C5H12.C4H10/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-5-12(13(2,3)4)11-9-7-6-8-10-11;1-11(2,3)7-8-4-5-9(13)6-10(8)12(14,15)16;1-11(2,3)7-8-4-5-9(12)6-10(8)13;2*1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)10-7-8-4-5-9(10)6-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-9(4,5)6;1-6-8(2)7-9(3,4)5;1-6-8(7-2)9(3,4)5;1-7(6-9-5)8(2,3)4;1-8(2,3)6-5-7-9-4;2*1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;1-5-6-7-8(2,3)4;1-7(2,3)5-6-8-4;1-6(2)7(3,4)5;3*1-5-6-7(2,3)4;2*1-5-6(2,3)4;1-5(2,3)4;1-4(2)3/h7-10H,1-6H3;5-10,12H,1H2,2-4H3;4-6H,7H2,1-3H3;4-6H,7H2,1-3H3;2*4-7H,8H2,1-3H3;8-10H,4-7H2,1-3H3;4-7H,1-3H3;9H,4-8H2,1-3H3;7H2,1-6H3;2*8H,6-7H2,1-5H3;7H,6H2,1-5H3;5-7H2,1-4H3;7H,6H2,1-5H3;1,6H2,2-5H3;1-6H3;5-7H2,1-4H3;5-6H2,1-4H3;6H,1-5H3;3*5-6H2,1-4H3;2*5H2,1-4H3;1-4H3;4H,1-3H3
• InChIKey: MZJLWAOYIFBICT-UHFFFAOYSA-N
• XLogP: 84.77
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 24
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3545.95
LogP ≤ 5	84.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene?

The IUPAC name of 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene (CID 159715518) is 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene.

What is the SMILES notation for 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene?

The canonical SMILES for 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene is C=C(C)CC(C)(C)C.C=CC(c1ccccc1)C(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C1CC2CCC1C2.CC(C)(C)C1CCCCC1.CC(C)(C)CC(C)(C)C.CC(C)(C)Cc1ccc(Cl)cc1.CC(C)(C)Cc1ccc(Cl)cc1Cl.CC(C)(C)Cc1ccc(F)cc1.CC(C)(C)Cc1ccc(F)cc1C(F)(F)F.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1ccccc1C(C)(C)C.CC(C)C.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)CC(C)(C)C.CCC(CC)C(C)(C)C.CCCC(C)(C)C.CCCC(C)(C)C.CCCC(C)(C)C.CCCCC(C)(C)C.COCC(C)C(C)(C)C.COCCC(C)(C)C.COCCCC(C)(C)C.

What is the InChIKey of 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene?

The InChIKey is MZJLWAOYIFBICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C13H18.C12H14F4.C11H14Cl2.C11H15Cl.C11H15F.C11H20.C10H13Cl.C10H20.3C9H20.2C8H18O.C8H18.C8H16.2C8H18.C7H16O.4C7H16.2C6H14.C5H12.C4H10/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6;1-5-12(13(2,3)4)11-9-7-6-8-10-11;1-11(2,3)7-8-4-5-9(13)6-10(8)12(14,15)16;1-11(2,3)7-8-4-5-9(12)6-10(8)13;2*1-11(2,3)8-9-4-6-10(12)7-5-9;1-11(2,3)10-7-8-4-5-9(10)6-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;1-8(2,3)7-9(4,5)6;1-6-8(2)7-9(3,4)5;1-6-8(7-2)9(3,4)5;1-7(6-9-5)8(2,3)4;1-8(2,3)6-5-7-9-4;2*1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;1-5-6-7-8(2,3)4;1-7(2,3)5-6-8-4;1-6(2)7(3,4)5;3*1-5-6-7(2,3)4;2*1-5-6(2,3)4;1-5(2,3)4;1-4(2)3/h7-10H,1-6H3;5-10,12H,1H2,2-4H3;4-6H,7H2,1-3H3;4-6H,7H2,1-3H3;2*4-7H,8H2,1-3H3;8-10H,4-7H2,1-3H3;4-7H,1-3H3;9H,4-8H2,1-3H3;7H2,1-6H3;2*8H,6-7H2,1-5H3;7H,6H2,1-5H3;5-7H2,1-4H3;7H,6H2,1-5H3;1,6H2,2-5H3;1-6H3;5-7H2,1-4H3;5-6H2,1-4H3;6H,1-5H3;3*5-6H2,1-4H3;2*5H2,1-4H3;1-4H3;4H,1-3H3.

What are the key properties of 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene?

2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene has a molecular weight of 3545.95 g/mol, XLogP of 84.77, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylbicyclo[2.2.1]heptane;1-tert-butyl-3-chlorobenzene;tert-butylcyclohexane;1-chloro-4-(2,2-dimethylpropyl)benzene;1,2-ditert-butylbenzene;2,4-dichloro-1-(2,2-dimethylpropyl)benzene;bis(2,2-dimethylbutane);2,2-dimethylhexane;tris(2,2-dimethylpentane);4,4-dimethylpent-1-en-3-ylbenzene;2,2-dimethylpropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-fluoro-2-(trifluoromethyl)benzene;3-ethyl-2,2-dimethylpentane;1-methoxy-3,3-dimethylbutane;1-methoxy-4,4-dimethylpentane;1-methoxy-2,3,3-trimethylbutane;2-methylpropane;2,2,3,3-tetramethylbutane;2,2,4,4-tetramethylpentane;2,2,3-trimethylbutane;2,2,4-trimethylhexane;2,2,4-trimethylpentane;2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 159715518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).