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

C21H36 — CID 123628431

IUPAC1,3,5-tributyl-2,4,6-trimethylbenzene
SMILESCCCCc1c(C)c(CCCC)c(C)c(CCCC)c1C
InChIInChI=1S/C21H36/c1-7-10-13-19-16(4)20(14-11-8-2)18(6)21(17(19)5)15-12-9-3/h7-15H2,1-6H3
InChIKeyIDVFALNBBDSHAF-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.64
Rot. Bonds9

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

1,3,5-tributyl-2,4,6-trimethylbenzene (PubChem CID 123628431) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 1,3,5-tributyl-2,4,6-trimethylbenzene.

Molecular Properties

Compound Name1,3,5-tributyl-2,4,6-trimethylbenzene
PubChem CID123628431
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name1,3,5-tributyl-2,4,6-trimethylbenzene
SMILESCCCCc1c(C)c(CCCC)c(C)c(CCCC)c1C
InChIInChI=1S/C21H36/c1-7-10-13-19-16(4)20(14-11-8-2)18(6)21(17(19)5)15-12-9-3/h7-15H2,1-6H3
InChIKeyIDVFALNBBDSHAF-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene
CID 118455439
2-butyl-5,6-diheptyl-4-methyl-3-propylphenol
CID 139832227
1,2,3,4-tetrabutylbenzene
CID 11220391
9-butyl-10-methylanthracene
CID 22754688
4-butyl-3,6-dichloro-5-methylpyridazine
CID 164864335
2-butyl-1,3,5-trimethylbenzene
CID 527298
2-butyl-3-hydroxycycloprop-2-en-1-one
CID 59755512
9,10-dibutylanthracene
CID 605822
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
2-butyl-3-ethyl-4,5,6-trimethylphenol
CID 139832207

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tributyl-2,4,6-trimethylbenzene?
The IUPAC name of 1,3,5-tributyl-2,4,6-trimethylbenzene (CID 123628431) is 1,3,5-tributyl-2,4,6-trimethylbenzene.
What is the SMILES notation for 1,3,5-tributyl-2,4,6-trimethylbenzene?
The canonical SMILES for 1,3,5-tributyl-2,4,6-trimethylbenzene is CCCCc1c(C)c(CCCC)c(C)c(CCCC)c1C.
What is the InChIKey of 1,3,5-tributyl-2,4,6-trimethylbenzene?
The InChIKey is IDVFALNBBDSHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-7-10-13-19-16(4)20(14-11-8-2)18(6)21(17(19)5)15-12-9-3/h7-15H2,1-6H3.
What are the key properties of 1,3,5-tributyl-2,4,6-trimethylbenzene?
1,3,5-tributyl-2,4,6-trimethylbenzene has a molecular weight of 288.52 g/mol, XLogP of 6.64, 9 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-trimethylbenzene is sourced from PubChem (CID 123628431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).