1,4-bis(4-methylhexyl)benzene

C20H34 — CID 145016441

IUPAC1,4-bis(4-methylhexyl)benzene
SMILESCCC(C)CCCc1ccc(CCCC(C)CC)cc1
InChIInChI=1S/C20H34/c1-5-17(3)9-7-11-19-13-15-20(16-14-19)12-8-10-18(4)6-2/h13-18H,5-12H2,1-4H3
InChIKeyGMQNGQJDWXVBCG-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.42
Rot. Bonds10

About 1,4-bis(4-methylhexyl)benzene

1,4-bis(4-methylhexyl)benzene (PubChem CID 145016441) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1,4-bis(4-methylhexyl)benzene.

Molecular Properties

Compound Name1,4-bis(4-methylhexyl)benzene
PubChem CID145016441
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1,4-bis(4-methylhexyl)benzene
SMILESCCC(C)CCCc1ccc(CCCC(C)CC)cc1
InChIInChI=1S/C20H34/c1-5-17(3)9-7-11-19-13-15-20(16-14-19)12-8-10-18(4)6-2/h13-18H,5-12H2,1-4H3
InChIKeyGMQNGQJDWXVBCG-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,5-tris(4-methylhexyl)benzene
CID 101071559
5-methylheptylbenzene
CID 564254
[4-(4-methylhexyl)phenyl]methanesulfonic acid
CID 88519728
4-[4-(4-methylhexyl)phenyl]benzoic acid
CID 19028475
4-(3-methylpentyl)phenol
CID 57225129
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
1-methyl-4-(4-methylnonyl)benzene
CID 59776274
(3R,7R)-3,7-dimethylnonane
CID 42626759
1-methyl-2-(4-methylhexyl)benzene
CID 123235312
6-(4-ethylphenyl)hexan-3-ol
CID 64514640
1,4-bis[(3R)-3,7-dimethyloctyl]benzene
CID 94774977
5-(9-methylundecyl)-2-(4-undecylphenyl)pyrimidine
CID 139803495

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylhexyl)benzene?
The IUPAC name of 1,4-bis(4-methylhexyl)benzene (CID 145016441) is 1,4-bis(4-methylhexyl)benzene.
What is the SMILES notation for 1,4-bis(4-methylhexyl)benzene?
The canonical SMILES for 1,4-bis(4-methylhexyl)benzene is CCC(C)CCCc1ccc(CCCC(C)CC)cc1.
What is the InChIKey of 1,4-bis(4-methylhexyl)benzene?
The InChIKey is GMQNGQJDWXVBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-5-17(3)9-7-11-19-13-15-20(16-14-19)12-8-10-18(4)6-2/h13-18H,5-12H2,1-4H3.
What are the key properties of 1,4-bis(4-methylhexyl)benzene?
1,4-bis(4-methylhexyl)benzene has a molecular weight of 274.49 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylhexyl)benzene is sourced from PubChem (CID 145016441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).