1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane

C26H42 — CID 157489586

IUPAC1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
SMILESCC.CC.Cc1cccc(C(C)(C)C)c1-c1c(C)cccc1C(C)(C)C
InChIInChI=1S/C22H30.2C2H6/c1-15-11-9-13-17(21(3,4)5)19(15)20-16(2)12-10-14-18(20)22(6,7)8;2*1-2/h9-14H,1-8H3;2*1-2H3
InChIKeyBXCPOTKAZGEHAK-UHFFFAOYSA-N
MW354.62 g/mol
LogP8.62
Rot. Bonds1

About 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane

1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane (PubChem CID 157489586) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane.

Molecular Properties

Compound Name1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
PubChem CID157489586
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
SMILESCC.CC.Cc1cccc(C(C)(C)C)c1-c1c(C)cccc1C(C)(C)C
InChIInChI=1S/C22H30.2C2H6/c1-15-11-9-13-17(21(3,4)5)19(15)20-16(2)12-10-14-18(20)22(6,7)8;2*1-2/h9-14H,1-8H3;2*1-2H3
InChIKeyBXCPOTKAZGEHAK-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2-methylbenzene;N,N-dimethylmethanamine;ethane
CID 157275483
2-tert-butyl-6-methylphenol
CID 16678
1,2-ditert-butyl-3-methylbenzene;bis(2,2-dimethylpropane)
CID 161097372
2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
2-tert-butyl-6-methylphenol;methane
CID 159779150
1,3-ditert-butyl-2-(2,5-dimethylphenyl)benzene
CID 173061773
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
1-tert-butyl-2,3-dimethylbenzene;isocyanic acid
CID 87249720
bis(2-tert-butyl-6-methylphenol);dichlorotitanium
CID 15872809
2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
CID 70406014
1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane
CID 165398651
CID 175472927
CID 175472927

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane?
The IUPAC name of 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane (CID 157489586) is 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane.
What is the SMILES notation for 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane?
The canonical SMILES for 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane is CC.CC.Cc1cccc(C(C)(C)C)c1-c1c(C)cccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane?
The InChIKey is BXCPOTKAZGEHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30.2C2H6/c1-15-11-9-13-17(21(3,4)5)19(15)20-16(2)12-10-14-18(20)22(6,7)8;2*1-2/h9-14H,1-8H3;2*1-2H3.
What are the key properties of 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane?
1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane has a molecular weight of 354.62 g/mol, XLogP of 8.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane is sourced from PubChem (CID 157489586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).