1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane

C26H52 — CID 162101087

IUPAC1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
SMILESCC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22.2C5H12.C2H6/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-5(2,3)4;1-2/h7-10H,1-6H3;2*1-4H3;1-2H3
InChIKeyZEWVDHIJSVRTNU-UHFFFAOYSA-N
MW364.70 g/mol
LogP9.41
Rot. Bonds

About 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane

1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane (PubChem CID 162101087) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane.

Molecular Properties

Compound Name1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
PubChem CID162101087
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Name1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
SMILESCC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22.2C5H12.C2H6/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-5(2,3)4;1-2/h7-10H,1-6H3;2*1-4H3;1-2H3
InChIKeyZEWVDHIJSVRTNU-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174308515
tert-butylbenzene;chloromethane;ethane
CID 91149652
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CID 157161752
1-tert-butyl-4-ethynylbenzene;ethane
CID 143373231
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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane?
The IUPAC name of 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane (CID 162101087) is 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane.
What is the SMILES notation for 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane?
The canonical SMILES for 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane is CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane?
The InChIKey is ZEWVDHIJSVRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.2C5H12.C2H6/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;2*1-5(2,3)4;1-2/h7-10H,1-6H3;2*1-4H3;1-2H3.
What are the key properties of 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane?
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane has a molecular weight of 364.70 g/mol, XLogP of 9.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane is sourced from PubChem (CID 162101087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).