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

C21H42 — CID 143147503

IUPACacetylene;1,4-diethyl-2-methylbenzene;ethane
SMILESC#C.CC.CC.CC.CC.CCc1ccc(CC)c(C)c1
InChIInChI=1S/C11H16.4C2H6.C2H2/c1-4-10-6-7-11(5-2)9(3)8-10;5*1-2/h6-8H,4-5H2,1-3H3;4*1-2H3;1-2H
InChIKeyKLBWCERDWXLXPH-UHFFFAOYSA-N
MW294.57 g/mol
LogP7.47
Rot. Bonds2

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

acetylene;1,4-diethyl-2-methylbenzene;ethane (PubChem CID 143147503) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is acetylene;1,4-diethyl-2-methylbenzene;ethane.

Molecular Properties

Compound Nameacetylene;1,4-diethyl-2-methylbenzene;ethane
PubChem CID143147503
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Nameacetylene;1,4-diethyl-2-methylbenzene;ethane
SMILESC#C.CC.CC.CC.CC.CCc1ccc(CC)c(C)c1
InChIInChI=1S/C11H16.4C2H6.C2H2/c1-4-10-6-7-11(5-2)9(3)8-10;5*1-2/h6-8H,4-5H2,1-3H3;4*1-2H3;1-2H
InChIKeyKLBWCERDWXLXPH-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-diethyl-2-methylbenzene;ethane
CID 158451617
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 acetylene;1,4-diethyl-2-methylbenzene;ethane?
The IUPAC name of acetylene;1,4-diethyl-2-methylbenzene;ethane (CID 143147503) is acetylene;1,4-diethyl-2-methylbenzene;ethane.
What is the SMILES notation for acetylene;1,4-diethyl-2-methylbenzene;ethane?
The canonical SMILES for acetylene;1,4-diethyl-2-methylbenzene;ethane is C#C.CC.CC.CC.CC.CCc1ccc(CC)c(C)c1.
What is the InChIKey of acetylene;1,4-diethyl-2-methylbenzene;ethane?
The InChIKey is KLBWCERDWXLXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.4C2H6.C2H2/c1-4-10-6-7-11(5-2)9(3)8-10;5*1-2/h6-8H,4-5H2,1-3H3;4*1-2H3;1-2H.
What are the key properties of acetylene;1,4-diethyl-2-methylbenzene;ethane?
acetylene;1,4-diethyl-2-methylbenzene;ethane has a molecular weight of 294.57 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,4-diethyl-2-methylbenzene;ethane is sourced from PubChem (CID 143147503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).