1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane

C18H32 — CID 145287481

IUPAC1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
SMILESCC.CC(C)C(C)(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26.C2H6/c1-12(2)16(6,7)14-10-8-13(9-11-14)15(3,4)5;1-2/h8-12H,1-7H3;1-2H3
InChIKeyBKQZFFIPGXQPPY-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.94
Rot. Bonds2

About 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane

1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane (PubChem CID 145287481) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane.

Molecular Properties

Compound Name1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
PubChem CID145287481
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
SMILESCC.CC(C)C(C)(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26.C2H6/c1-12(2)16(6,7)14-10-8-13(9-11-14)15(3,4)5;1-2/h8-12H,1-7H3;1-2H3
InChIKeyBKQZFFIPGXQPPY-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
CID 142109558
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
1-(2,3-dimethylbutan-2-yl)-4-nitrobenzene
CID 121011525
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
2-(4-tert-butylphenyl)-2,3-dimethylbutanenitrile
CID 117048002
2-(4-tert-butylphenyl)-3-methylbutan-2-amine
CID 62548190
2-(2,3-dimethylbutan-2-yl)anthracene
CID 173439325
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-(4-tert-butylphenyl)propane-1,2-diamine
CID 20546388
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene
CID 143658209
4-(2,3-dimethylbutan-2-yl)pyridine;methanethioamide
CID 142225906

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane?
The IUPAC name of 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane (CID 145287481) is 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane.
What is the SMILES notation for 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane?
The canonical SMILES for 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane is CC.CC(C)C(C)(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane?
The InChIKey is BKQZFFIPGXQPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C2H6/c1-12(2)16(6,7)14-10-8-13(9-11-14)15(3,4)5;1-2/h8-12H,1-7H3;1-2H3.
What are the key properties of 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane?
1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane has a molecular weight of 248.45 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane is sourced from PubChem (CID 145287481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).