1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane

C24H38 — CID 159548907

IUPAC1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
SMILESCC.CC.CC(C)(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C20H26.2C2H6/c1-19(2,3)17-11-7-9-15(13-17)16-10-8-12-18(14-16)20(4,5)6;2*1-2/h7-14H,1-6H3;2*1-2H3
InChIKeyMFDKYOBBQFFJRG-UHFFFAOYSA-N
MW326.57 g/mol
LogP8.00
Rot. Bonds1

About 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane

1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane (PubChem CID 159548907) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane.

Molecular Properties

Compound Name1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
PubChem CID159548907
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
SMILESCC.CC.CC(C)(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C20H26.2C2H6/c1-19(2,3)17-11-7-9-15(13-17)16-10-8-12-18(14-16)20(4,5)6;2*1-2/h7-14H,1-6H3;2*1-2H3
InChIKeyMFDKYOBBQFFJRG-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
1-tert-butyl-3-(3-fluorophenyl)benzene
CID 59066475
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
4-(3-tert-butylphenyl)-1,2-dimethylbenzene
CID 59105932
2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene
CID 153279790
alumane;1,3-ditert-butylbenzene
CID 174392215
1-tert-butyl-3-[3-(3-tert-butylphenyl)phenyl]-5-fluorobenzene
CID 168802983
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
1-tert-butyl-3-(4-nitrophenyl)benzene
CID 165476956
2-tert-butyl-5-(3-tert-butylphenyl)pyridine
CID 90148532

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane?
The IUPAC name of 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane (CID 159548907) is 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane.
What is the SMILES notation for 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane?
The canonical SMILES for 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane is CC.CC.CC(C)(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane?
The InChIKey is MFDKYOBBQFFJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.2C2H6/c1-19(2,3)17-11-7-9-15(13-17)16-10-8-12-18(14-16)20(4,5)6;2*1-2/h7-14H,1-6H3;2*1-2H3.
What are the key properties of 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane?
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane has a molecular weight of 326.57 g/mol, XLogP of 8.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane is sourced from PubChem (CID 159548907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).