1-ethyl-4-(2-methylpropyl)benzene;methane;propane

C16H30 — CID 154659572

IUPAC1-ethyl-4-(2-methylpropyl)benzene;methane;propane
SMILESC.CCC.CCc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H18.C3H8.CH4/c1-4-11-5-7-12(8-6-11)9-10(2)3;1-3-2;/h5-8,10H,4,9H2,1-3H3;3H2,1-2H3;1H4
InChIKeyYBIVTKQVHOMVJR-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.50
Rot. Bonds3

About 1-ethyl-4-(2-methylpropyl)benzene;methane;propane

1-ethyl-4-(2-methylpropyl)benzene;methane;propane (PubChem CID 154659572) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpropyl)benzene;methane;propane.

Molecular Properties

Compound Name1-ethyl-4-(2-methylpropyl)benzene;methane;propane
PubChem CID154659572
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-ethyl-4-(2-methylpropyl)benzene;methane;propane
SMILESC.CCC.CCc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H18.C3H8.CH4/c1-4-11-5-7-12(8-6-11)9-10(2)3;1-3-2;/h5-8,10H,4,9H2,1-3H3;3H2,1-2H3;1H4
InChIKeyYBIVTKQVHOMVJR-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1,4-diethylbenzene;ethane;methane
CID 166131756
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane
CID 91207141
2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene
CID 170694578
3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528904
3-[(4-ethylphenyl)methyl]-N,4-dimethylpentan-2-amine
CID 55132620

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylpropyl)benzene;methane;propane?
The IUPAC name of 1-ethyl-4-(2-methylpropyl)benzene;methane;propane (CID 154659572) is 1-ethyl-4-(2-methylpropyl)benzene;methane;propane.
What is the SMILES notation for 1-ethyl-4-(2-methylpropyl)benzene;methane;propane?
The canonical SMILES for 1-ethyl-4-(2-methylpropyl)benzene;methane;propane is C.CCC.CCc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-ethyl-4-(2-methylpropyl)benzene;methane;propane?
The InChIKey is YBIVTKQVHOMVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C3H8.CH4/c1-4-11-5-7-12(8-6-11)9-10(2)3;1-3-2;/h5-8,10H,4,9H2,1-3H3;3H2,1-2H3;1H4.
What are the key properties of 1-ethyl-4-(2-methylpropyl)benzene;methane;propane?
1-ethyl-4-(2-methylpropyl)benzene;methane;propane has a molecular weight of 222.42 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylpropyl)benzene;methane;propane is sourced from PubChem (CID 154659572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).