2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one

C35H78O2S — CID 161224173

About 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one

2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one (PubChem CID 161224173) has the molecular formula C35H78O2S and a molecular weight of 563.07 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one.

Molecular Properties

• Compound Name: 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one
• PubChem CID: 161224173
• Molecular Formula: C35H78O2S
• Molecular Weight: 563.07 g/mol
• Exact Mass: 562.57
• IUPAC Name: 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one
• SMILES: C.CC(C)(C)C(=O)C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)(C)OC(C)(C)C.CC(C)(C)SC(C)(C)C
• InChI: InChI=1S/C9H18O.C9H20.C8H18O.C8H18S.CH4/c1-8(2,3)7(10)9(4,5)6;1-8(2,3)7-9(4,5)6;2*1-7(2,3)9-8(4,5)6;/h1-6H3;7H2,1-6H3;2*1-6H3;1H4
• InChIKey: UXXDLJRPBNONRS-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 26.30 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.07
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one?

The IUPAC name of 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one (CID 161224173) is 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one.

What is the SMILES notation for 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one?

The canonical SMILES for 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one is C.CC(C)(C)C(=O)C(C)(C)C.CC(C)(C)CC(C)(C)C.CC(C)(C)OC(C)(C)C.CC(C)(C)SC(C)(C)C.

What is the InChIKey of 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one?

The InChIKey is UXXDLJRPBNONRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C9H20.C8H18O.C8H18S.CH4/c1-8(2,3)7(10)9(4,5)6;1-8(2,3)7-9(4,5)6;2*1-7(2,3)9-8(4,5)6;/h1-6H3;7H2,1-6H3;2*1-6H3;1H4.

What are the key properties of 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one?

2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one has a molecular weight of 563.07 g/mol, XLogP of 12.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylsulfanyl-2-methylpropane;methane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-one is sourced from PubChem (CID 161224173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).