1,2-diethyl-3,4-dimethylbenzene

C12H18 — CID 590292

IUPAC1,2-diethyl-3,4-dimethylbenzene
SMILESCCc1ccc(C)c(C)c1CC
InChIInChI=1S/C12H18/c1-5-11-8-7-9(3)10(4)12(11)6-2/h7-8H,5-6H2,1-4H3
InChIKeyFAWZMJHFENIDPI-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.43
Rot. Bonds2

About 1,2-diethyl-3,4-dimethylbenzene

1,2-diethyl-3,4-dimethylbenzene (PubChem CID 590292) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,2-diethyl-3,4-dimethylbenzene.

Molecular Properties

Compound Name1,2-diethyl-3,4-dimethylbenzene
PubChem CID590292
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,2-diethyl-3,4-dimethylbenzene
SMILESCCc1ccc(C)c(C)c1CC
InChIInChI=1S/C12H18/c1-5-11-8-7-9(3)10(4)12(11)6-2/h7-8H,5-6H2,1-4H3
InChIKeyFAWZMJHFENIDPI-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3,4-dimethylbenzene?
The IUPAC name of 1,2-diethyl-3,4-dimethylbenzene (CID 590292) is 1,2-diethyl-3,4-dimethylbenzene.
What is the SMILES notation for 1,2-diethyl-3,4-dimethylbenzene?
The canonical SMILES for 1,2-diethyl-3,4-dimethylbenzene is CCc1ccc(C)c(C)c1CC.
What is the InChIKey of 1,2-diethyl-3,4-dimethylbenzene?
The InChIKey is FAWZMJHFENIDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-5-11-8-7-9(3)10(4)12(11)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,2-diethyl-3,4-dimethylbenzene?
1,2-diethyl-3,4-dimethylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3,4-dimethylbenzene is sourced from PubChem (CID 590292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).