1-butyl-5-ethyl-2,4-dimethylbenzene

C14H22 — CID 155667588

IUPAC1-butyl-5-ethyl-2,4-dimethylbenzene
SMILESCCCCc1cc(CC)c(C)cc1C
InChIInChI=1S/C14H22/c1-5-7-8-14-10-13(6-2)11(3)9-12(14)4/h9-10H,5-8H2,1-4H3
InChIKeyNYURGHOJBBYMNI-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.21
Rot. Bonds4

About 1-butyl-5-ethyl-2,4-dimethylbenzene

1-butyl-5-ethyl-2,4-dimethylbenzene (PubChem CID 155667588) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-butyl-5-ethyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-butyl-5-ethyl-2,4-dimethylbenzene
PubChem CID155667588
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-butyl-5-ethyl-2,4-dimethylbenzene
SMILESCCCCc1cc(CC)c(C)cc1C
InChIInChI=1S/C14H22/c1-5-7-8-14-10-13(6-2)11(3)9-12(14)4/h9-10H,5-8H2,1-4H3
InChIKeyNYURGHOJBBYMNI-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butyl-3-methylnaphthalene
CID 173304138
3-butyl-6-ethyl-5-methyl-1H-indole
CID 123200442
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
1-ethyl-2,5-dimethyl-4-(5-methylhexyl)benzene
CID 143814154
2,4-dimethyl-5-pentadecylphenol
CID 166008290
(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
CID 151672758
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
5-butyl-2-hydroxy-4-methylbenzenecarbothioic S-acid
CID 20560388
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
1-methyl-2-pentylbenzene
CID 524553
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
1-butyl-2-methylbenzene;ethane;propane
CID 142102479

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-2,4-dimethylbenzene?
The IUPAC name of 1-butyl-5-ethyl-2,4-dimethylbenzene (CID 155667588) is 1-butyl-5-ethyl-2,4-dimethylbenzene.
What is the SMILES notation for 1-butyl-5-ethyl-2,4-dimethylbenzene?
The canonical SMILES for 1-butyl-5-ethyl-2,4-dimethylbenzene is CCCCc1cc(CC)c(C)cc1C.
What is the InChIKey of 1-butyl-5-ethyl-2,4-dimethylbenzene?
The InChIKey is NYURGHOJBBYMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-5-7-8-14-10-13(6-2)11(3)9-12(14)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-butyl-5-ethyl-2,4-dimethylbenzene?
1-butyl-5-ethyl-2,4-dimethylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-2,4-dimethylbenzene is sourced from PubChem (CID 155667588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).