1,2,3,4-tetrabutylbenzene

C22H38 — CID 11220391

IUPAC1,2,3,4-tetrabutylbenzene
SMILESCCCCc1ccc(CCCC)c(CCCC)c1CCCC
InChIInChI=1S/C22H38/c1-5-9-13-19-17-18-20(14-10-6-2)22(16-12-8-4)21(19)15-11-7-3/h17-18H,5-16H2,1-4H3
InChIKeySXMGTZKTIKEEBL-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.06
Rot. Bonds12

About 1,2,3,4-tetrabutylbenzene

1,2,3,4-tetrabutylbenzene (PubChem CID 11220391) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 1,2,3,4-tetrabutylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetrabutylbenzene
PubChem CID11220391
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name1,2,3,4-tetrabutylbenzene
SMILESCCCCc1ccc(CCCC)c(CCCC)c1CCCC
InChIInChI=1S/C22H38/c1-5-9-13-19-17-18-20(14-10-6-2)22(16-12-8-4)21(19)15-11-7-3/h17-18H,5-16H2,1-4H3
InChIKeySXMGTZKTIKEEBL-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-tributylbenzene;hydrate
CID 172716323
(2,3-dibutylphenyl)phosphane
CID 19901991
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
1-but-2-enyl-2,3,4-tributylbenzene
CID 139617866
tris(2,3,4-tributylphenyl) borate
CID 68718164
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444
3,4-dibutylbenzene-1,2-diamine
CID 18764845
iron;1-(2,3,4-tributylphenyl)ethanone
CID 70631281
CID 174716298
CID 174716298
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrabutylbenzene?
The IUPAC name of 1,2,3,4-tetrabutylbenzene (CID 11220391) is 1,2,3,4-tetrabutylbenzene.
What is the SMILES notation for 1,2,3,4-tetrabutylbenzene?
The canonical SMILES for 1,2,3,4-tetrabutylbenzene is CCCCc1ccc(CCCC)c(CCCC)c1CCCC.
What is the InChIKey of 1,2,3,4-tetrabutylbenzene?
The InChIKey is SXMGTZKTIKEEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-5-9-13-19-17-18-20(14-10-6-2)22(16-12-8-4)21(19)15-11-7-3/h17-18H,5-16H2,1-4H3.
What are the key properties of 1,2,3,4-tetrabutylbenzene?
1,2,3,4-tetrabutylbenzene has a molecular weight of 302.55 g/mol, XLogP of 7.06, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrabutylbenzene is sourced from PubChem (CID 11220391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).