1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane

C108H226N4O4S — CID 160816177

About 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane

1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane (PubChem CID 160816177) has the molecular formula C108H226N4O4S and a molecular weight of 1677.09 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane
• PubChem CID: 160816177
• Molecular Formula: C108H226N4O4S
• Molecular Weight: 1677.09 g/mol
• Exact Mass: 1675.73
• IUPAC Name: 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane
• SMILES: CC(C)(C)CCCC(C)(C)C.CC(C)(C)CCCCC(C)(C)C.CC(C)(C)CCCOC(C)(C)C.CC(C)(C)CCCSC(C)(C)C.CC(C)(C)CCNC(=O)CCC(C)(C)C.CC(C)(C)COCCOC(C)(C)C.CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CN(CCCC(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C15H24.C13H27NO.C12H26N2.C12H27N.C12H26.C11H24O2.C11H24O.C11H24S.C11H24/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6;1-12(2,3)8-7-11(15)14-10-9-13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-8-10-13(7)12(4,5)6;1-11(2,3)9-7-8-10-12(4,5)6;1-10(2,3)9-12-7-8-13-11(4,5)6;2*1-10(2,3)8-7-9-12-11(4,5)6;1-10(2,3)8-7-9-11(4,5)6/h7-10H,11H2,1-6H3;7-10H2,1-6H3,(H,14,15);7-10H2,1-6H3;8-10H2,1-7H3;7-10H2,1-6H3;7-9H2,1-6H3;2*7-9H2,1-6H3;7-9H2,1-6H3
• InChIKey: SEXYIIQNGYFBFL-UHFFFAOYSA-N
• XLogP: 33.41
• TPSA: 66.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1677.09
LogP ≤ 5	33.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane?

The IUPAC name of 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane (CID 160816177) is 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane.

What is the SMILES notation for 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane?

The canonical SMILES for 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane is CC(C)(C)CCCC(C)(C)C.CC(C)(C)CCCCC(C)(C)C.CC(C)(C)CCCOC(C)(C)C.CC(C)(C)CCCSC(C)(C)C.CC(C)(C)CCNC(=O)CCC(C)(C)C.CC(C)(C)COCCOC(C)(C)C.CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CN(CCCC(C)(C)C)C(C)(C)C.

What is the InChIKey of 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane?

The InChIKey is SEXYIIQNGYFBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C13H27NO.C12H26N2.C12H27N.C12H26.C11H24O2.C11H24O.C11H24S.C11H24/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6;1-12(2,3)8-7-11(15)14-10-9-13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-8-10-13(7)12(4,5)6;1-11(2,3)9-7-8-10-12(4,5)6;1-10(2,3)9-12-7-8-13-11(4,5)6;2*1-10(2,3)8-7-9-12-11(4,5)6;1-10(2,3)8-7-9-11(4,5)6/h7-10H,11H2,1-6H3;7-10H2,1-6H3,(H,14,15);7-10H2,1-6H3;8-10H2,1-7H3;7-10H2,1-6H3;7-9H2,1-6H3;2*7-9H2,1-6H3;7-9H2,1-6H3.

What are the key properties of 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane?

1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane has a molecular weight of 1677.09 g/mol, XLogP of 33.41, 23 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butylsulfanyl-4,4-dimethylpentane;N-tert-butyl-N,4,4-trimethylpentan-1-amine;1,4-ditert-butylpiperazine;N-(3,3-dimethylbutyl)-4,4-dimethylpentanamide;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,7,7-tetramethyloctane is sourced from PubChem (CID 160816177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).