1-ethyl-2,4-dimethylbenzene;propane

C16H30 — CID 143347602

IUPAC1-ethyl-2,4-dimethylbenzene;propane
SMILESCCC.CCC.CCc1ccc(C)cc1C
InChIInChI=1S/C10H14.2C3H8/c1-4-10-6-5-8(2)7-9(10)3;2*1-3-2/h5-7H,4H2,1-3H3;2*3H2,1-2H3
InChIKeyBSMYFUSJZYJSSC-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.70
Rot. Bonds1

About 1-ethyl-2,4-dimethylbenzene;propane

1-ethyl-2,4-dimethylbenzene;propane (PubChem CID 143347602) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethylbenzene;propane.

Molecular Properties

Compound Name1-ethyl-2,4-dimethylbenzene;propane
PubChem CID143347602
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-ethyl-2,4-dimethylbenzene;propane
SMILESCCC.CCC.CCc1ccc(C)cc1C
InChIInChI=1S/C10H14.2C3H8/c1-4-10-6-5-8(2)7-9(10)3;2*1-3-2/h5-7H,4H2,1-3H3;2*3H2,1-2H3
InChIKeyBSMYFUSJZYJSSC-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,4-dimethylphenyl)methanamine;propane
CID 143780972
1,2-diethyl-4-methylbenzene;methane
CID 174446118
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
2-ethyl-5-methylbenzenethiol
CID 91873863
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
(2,4-dimethylphenyl)methanesulfonamide
CID 59964487
ethane;3-ethyl-2,6-dimethylnaphthalene
CID 143575841
2-(3,4-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665788
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
ethane;2-ethyl-5-methylphenol
CID 142001660
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethylbenzene;propane?
The IUPAC name of 1-ethyl-2,4-dimethylbenzene;propane (CID 143347602) is 1-ethyl-2,4-dimethylbenzene;propane.
What is the SMILES notation for 1-ethyl-2,4-dimethylbenzene;propane?
The canonical SMILES for 1-ethyl-2,4-dimethylbenzene;propane is CCC.CCC.CCc1ccc(C)cc1C.
What is the InChIKey of 1-ethyl-2,4-dimethylbenzene;propane?
The InChIKey is BSMYFUSJZYJSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C3H8/c1-4-10-6-5-8(2)7-9(10)3;2*1-3-2/h5-7H,4H2,1-3H3;2*3H2,1-2H3.
What are the key properties of 1-ethyl-2,4-dimethylbenzene;propane?
1-ethyl-2,4-dimethylbenzene;propane has a molecular weight of 222.42 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethylbenzene;propane is sourced from PubChem (CID 143347602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).