1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene

C27H40 — CID 101326757

IUPAC1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene
SMILESCC(C)(C)c1ccc(C(C)(C)c2ccccc2C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C27H40/c1-24(2,3)20-14-12-13-15-22(20)27(10,11)19-16-17-21(25(4,5)6)23(18-19)26(7,8)9/h12-18H,1-11H3
InChIKeyQTFJCKGNOKKYGE-UHFFFAOYSA-N
MW364.62 g/mol
LogP7.91
Rot. Bonds2

About 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene

1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene (PubChem CID 101326757) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene
PubChem CID101326757
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene
SMILESCC(C)(C)c1ccc(C(C)(C)c2ccccc2C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C27H40/c1-24(2,3)20-14-12-13-15-22(20)27(10,11)19-16-17-21(25(4,5)6)23(18-19)26(7,8)9/h12-18H,1-11H3
InChIKeyQTFJCKGNOKKYGE-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326652
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641
tris(3,4-ditert-butylphenyl)methanol
CID 155667847
CID 175472927
CID 175472927
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
1,2-ditert-butyl-3-[2-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326702
2,3-ditert-butylnaphthalene
CID 14173307
1,2-ditert-butylbenzene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,7-ditert-butylnaphthalene
CID 157478652
tetrakis(2,4-bis(2-phenylpropan-2-yl)phenolate);titanium(4+)
CID 22395010
2,3-ditert-butyltetraphenylene
CID 166497085
1,2-ditert-butylbenzene;5,6-ditert-butyl-2-benzofuran-1,3-dione
CID 160602992
bis(3,4-ditert-butylphenyl)-phenylsulfanium
CID 87083589

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene?
The IUPAC name of 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene (CID 101326757) is 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene is CC(C)(C)c1ccc(C(C)(C)c2ccccc2C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene?
The InChIKey is QTFJCKGNOKKYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40/c1-24(2,3)20-14-12-13-15-22(20)27(10,11)19-16-17-21(25(4,5)6)23(18-19)26(7,8)9/h12-18H,1-11H3.
What are the key properties of 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene?
1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene has a molecular weight of 364.62 g/mol, XLogP of 7.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-[2-(2-tert-butylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 101326757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).