3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene

C22H30 — CID 166005536

IUPAC3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C(C)(C)C)c(C)cc1-c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C22H30/c1-13-10-14(2)18(6)21(17(13)5)19-11-16(4)20(12-15(19)3)22(7,8)9/h10-12H,1-9H3
InChIKeyKCSHWCTWQGGMHB-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.50
Rot. Bonds1

About 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene

3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene (PubChem CID 166005536) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene
PubChem CID166005536
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C(C)(C)C)c(C)cc1-c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C22H30/c1-13-10-14(2)18(6)21(17(13)5)19-11-16(4)20(12-15(19)3)22(7,8)9/h10-12H,1-9H3
InChIKeyKCSHWCTWQGGMHB-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetrakis(4-tert-butyl-2,5-dimethylphenyl)biphenylene
CID 173052655
1-tert-butyl-5-(2,4-dimethyl-5-propan-2-ylphenyl)-2,4-dimethylbenzene
CID 144517673
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
1-tert-butyl-4-[(4-tert-butyl-2,5-dimethylphenyl)disulfanyl]-2,5-dimethylbenzene
CID 86094002
1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
CID 21350453
2,6-ditert-butyl-3,4-dimethylbenzenethiol
CID 87823915
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
phosphorous acid;1,2,3,4-tetrakis(2,4-ditert-butyl-5-methylphenyl)biphenylene
CID 87510713
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
3-[3-(4-tert-butylphenyl)-5-[2-[3-(4-tert-butylphenyl)-4-methoxy-5-(2,3,5,6-tetramethylphenyl)phenyl]propan-2-yl]-2-methoxyphenyl]-1,2,4,5-tetramethylbenzene
CID 129210909
2,4-ditert-butyl-5-methylphenol
CID 10346
5-tert-butyl-2,4-dimethylbenzoic acid
CID 123469469

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene (CID 166005536) is 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene is Cc1cc(C(C)(C)C)c(C)cc1-c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene?
The InChIKey is KCSHWCTWQGGMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-13-10-14(2)18(6)21(17(13)5)19-11-16(4)20(12-15(19)3)22(7,8)9/h10-12H,1-9H3.
What are the key properties of 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene?
3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2,5-dimethylphenyl)-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 166005536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).