1,4-diethyl-2-methylbenzene;ethane

C15H28 — CID 158451617

IUPAC1,4-diethyl-2-methylbenzene;ethane
SMILESCC.CC.CCc1ccc(CC)c(C)c1
InChIInChI=1S/C11H16.2C2H6/c1-4-10-6-7-11(5-2)9(3)8-10;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3
InChIKeyHEBIYBKAHCZJHV-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds2

About 1,4-diethyl-2-methylbenzene;ethane

1,4-diethyl-2-methylbenzene;ethane (PubChem CID 158451617) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,4-diethyl-2-methylbenzene;ethane.

Molecular Properties

Compound Name1,4-diethyl-2-methylbenzene;ethane
PubChem CID158451617
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,4-diethyl-2-methylbenzene;ethane
SMILESCC.CC.CCc1ccc(CC)c(C)c1
InChIInChI=1S/C11H16.2C2H6/c1-4-10-6-7-11(5-2)9(3)8-10;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3
InChIKeyHEBIYBKAHCZJHV-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acetylene;1,4-diethyl-2-methylbenzene;ethane
CID 143147503
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
4-ethyl-1-(3-fluoropropyl)-2-methylbenzene
CID 130372801
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
1,2,4-triethylbenzene;1,2,3-trimethylbenzene
CID 160595635
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2-methylbenzene;ethane?
The IUPAC name of 1,4-diethyl-2-methylbenzene;ethane (CID 158451617) is 1,4-diethyl-2-methylbenzene;ethane.
What is the SMILES notation for 1,4-diethyl-2-methylbenzene;ethane?
The canonical SMILES for 1,4-diethyl-2-methylbenzene;ethane is CC.CC.CCc1ccc(CC)c(C)c1.
What is the InChIKey of 1,4-diethyl-2-methylbenzene;ethane?
The InChIKey is HEBIYBKAHCZJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.2C2H6/c1-4-10-6-7-11(5-2)9(3)8-10;2*1-2/h6-8H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of 1,4-diethyl-2-methylbenzene;ethane?
1,4-diethyl-2-methylbenzene;ethane has a molecular weight of 208.39 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2-methylbenzene;ethane is sourced from PubChem (CID 158451617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).