1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane

C34H58 — CID 163903793

IUPAC1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane
SMILESC.CC(C)(C)CCC(C)(C)C.CC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32.C10H22.CH4/c1-21(2,3)17-9-13-19(14-10-17)23(7,8)20-15-11-18(12-16-20)22(4,5)6;1-9(2,3)7-8-10(4,5)6;/h9-16H,1-8H3;7-8H2,1-6H3;1H4
InChIKeyQMCZYYNHQQHRAA-UHFFFAOYSA-N
MW466.84 g/mol
LogP11.10
Rot. Bonds3

About 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane

1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane (PubChem CID 163903793) has the molecular formula C34H58 and a molecular weight of 466.84 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane
PubChem CID163903793
Molecular FormulaC34H58
Molecular Weight466.84 g/mol
Exact Mass466.45
IUPAC Name1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane
SMILESC.CC(C)(C)CCC(C)(C)C.CC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32.C10H22.CH4/c1-21(2,3)17-9-13-19(14-10-17)23(7,8)20-15-11-18(12-16-20)22(4,5)6;1-9(2,3)7-8-10(4,5)6;/h9-16H,1-8H3;7-8H2,1-6H3;1H4
InChIKeyQMCZYYNHQQHRAA-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane?
The IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane (CID 163903793) is 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane.
What is the SMILES notation for 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane?
The canonical SMILES for 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane is C.CC(C)(C)CCC(C)(C)C.CC(C)(C)c1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane?
The InChIKey is QMCZYYNHQQHRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32.C10H22.CH4/c1-21(2,3)17-9-13-19(14-10-17)23(7,8)20-15-11-18(12-16-20)22(4,5)6;1-9(2,3)7-8-10(4,5)6;/h9-16H,1-8H3;7-8H2,1-6H3;1H4.
What are the key properties of 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane?
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane has a molecular weight of 466.84 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane is sourced from PubChem (CID 163903793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).