1,3,5-tributyl-2,4,6-triethylbenzene

C24H42 — CID 10925571

IUPAC1,3,5-tributyl-2,4,6-triethylbenzene
SMILESCCCCc1c(CC)c(CCCC)c(CC)c(CCCC)c1CC
InChIInChI=1S/C24H42/c1-7-13-16-22-19(10-4)23(17-14-8-2)21(12-6)24(18-15-9-3)20(22)11-5/h7-18H2,1-6H3
InChIKeyXJPHQOGKWWXVKL-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.40
Rot. Bonds12

About 1,3,5-tributyl-2,4,6-triethylbenzene

1,3,5-tributyl-2,4,6-triethylbenzene (PubChem CID 10925571) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1,3,5-tributyl-2,4,6-triethylbenzene.

Molecular Properties

Compound Name1,3,5-tributyl-2,4,6-triethylbenzene
PubChem CID10925571
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1,3,5-tributyl-2,4,6-triethylbenzene
SMILESCCCCc1c(CC)c(CCCC)c(CC)c(CCCC)c1CC
InChIInChI=1S/C24H42/c1-7-13-16-22-19(10-4)23(17-14-8-2)21(12-6)24(18-15-9-3)20(22)11-5/h7-18H2,1-6H3
InChIKeyXJPHQOGKWWXVKL-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tributyl-2,4,6-triethylbenzene?
The IUPAC name of 1,3,5-tributyl-2,4,6-triethylbenzene (CID 10925571) is 1,3,5-tributyl-2,4,6-triethylbenzene.
What is the SMILES notation for 1,3,5-tributyl-2,4,6-triethylbenzene?
The canonical SMILES for 1,3,5-tributyl-2,4,6-triethylbenzene is CCCCc1c(CC)c(CCCC)c(CC)c(CCCC)c1CC.
What is the InChIKey of 1,3,5-tributyl-2,4,6-triethylbenzene?
The InChIKey is XJPHQOGKWWXVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-7-13-16-22-19(10-4)23(17-14-8-2)21(12-6)24(18-15-9-3)20(22)11-5/h7-18H2,1-6H3.
What are the key properties of 1,3,5-tributyl-2,4,6-triethylbenzene?
1,3,5-tributyl-2,4,6-triethylbenzene has a molecular weight of 330.60 g/mol, XLogP of 7.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tributyl-2,4,6-triethylbenzene is sourced from PubChem (CID 10925571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).