1,4-diethylbenzene

C10H14 — CID 7734

IUPAC1,4-diethylbenzene
SMILESCCc1ccc(CC)cc1
InChIInChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyDSNHSQKRULAAEI-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.81
Rot. Bonds2

About 1,4-diethylbenzene

1,4-diethylbenzene (PubChem CID 7734) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,4-diethylbenzene.

Molecular Properties

Compound Name1,4-diethylbenzene
PubChem CID7734
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,4-diethylbenzene
SMILESCCc1ccc(CC)cc1
InChIInChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyDSNHSQKRULAAEI-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene?
The IUPAC name of 1,4-diethylbenzene (CID 7734) is 1,4-diethylbenzene.
What is the SMILES notation for 1,4-diethylbenzene?
The canonical SMILES for 1,4-diethylbenzene is CCc1ccc(CC)cc1.
What is the InChIKey of 1,4-diethylbenzene?
The InChIKey is DSNHSQKRULAAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,4-diethylbenzene?
1,4-diethylbenzene has a molecular weight of 134.22 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene is sourced from PubChem (CID 7734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).