1,2,3,4-tetrabutyl-5-methylbenzene

C23H40 — CID 54311592

IUPAC1,2,3,4-tetrabutyl-5-methylbenzene
SMILESCCCCc1cc(C)c(CCCC)c(CCCC)c1CCCC
InChIInChI=1S/C23H40/c1-6-10-14-20-18-19(5)21(15-11-7-2)23(17-13-9-4)22(20)16-12-8-3/h18H,6-17H2,1-5H3
InChIKeySLGXTLLHAQYMPD-UHFFFAOYSA-N
MW316.57 g/mol
LogP7.37
Rot. Bonds12

About 1,2,3,4-tetrabutyl-5-methylbenzene

1,2,3,4-tetrabutyl-5-methylbenzene (PubChem CID 54311592) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is 1,2,3,4-tetrabutyl-5-methylbenzene.

Molecular Properties

Compound Name1,2,3,4-tetrabutyl-5-methylbenzene
PubChem CID54311592
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Name1,2,3,4-tetrabutyl-5-methylbenzene
SMILESCCCCc1cc(C)c(CCCC)c(CCCC)c1CCCC
InChIInChI=1S/C23H40/c1-6-10-14-20-18-19(5)21(15-11-7-2)23(17-13-9-4)22(20)16-12-8-3/h18H,6-17H2,1-5H3
InChIKeySLGXTLLHAQYMPD-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
1,2,3,4-tetrabutylbenzene
CID 11220391
3-butyl-6-methyl-4-pentylbenzene-1,2-diol
CID 87875378
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
2-butyl-1,3,5-trimethylbenzene
CID 527298
1,2,5-tributyl-3-[2-(2,3,5-tributylphenyl)ethyl]benzene
CID 101311557
1-iodyl-2,3,4,5-tetraoctylbenzene
CID 23357657
2,3,4,5-tetradodecylphenol
CID 21465809
4-butyl-3,5-dipentylbenzene-1,2-diol
CID 87876480
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
3,4,5-tributyl-N,N-dimethylaniline
CID 170058767
5-butyl-1,2,3-tridodecylbenzene
CID 91450595

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrabutyl-5-methylbenzene?
The IUPAC name of 1,2,3,4-tetrabutyl-5-methylbenzene (CID 54311592) is 1,2,3,4-tetrabutyl-5-methylbenzene.
What is the SMILES notation for 1,2,3,4-tetrabutyl-5-methylbenzene?
The canonical SMILES for 1,2,3,4-tetrabutyl-5-methylbenzene is CCCCc1cc(C)c(CCCC)c(CCCC)c1CCCC.
What is the InChIKey of 1,2,3,4-tetrabutyl-5-methylbenzene?
The InChIKey is SLGXTLLHAQYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40/c1-6-10-14-20-18-19(5)21(15-11-7-2)23(17-13-9-4)22(20)16-12-8-3/h18H,6-17H2,1-5H3.
What are the key properties of 1,2,3,4-tetrabutyl-5-methylbenzene?
1,2,3,4-tetrabutyl-5-methylbenzene has a molecular weight of 316.57 g/mol, XLogP of 7.37, 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-tetrabutyl-5-methylbenzene is sourced from PubChem (CID 54311592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).