1,3-diethylbenzene

C10H14 — CID 8864

IUPAC1,3-diethylbenzene
SMILESCCc1cccc(CC)c1
InChIInChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
InChIKeyAFZZYIJIWUTJFO-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.81
Rot. Bonds2

About 1,3-diethylbenzene

1,3-diethylbenzene (PubChem CID 8864) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,3-diethylbenzene.

Molecular Properties

Compound Name1,3-diethylbenzene
PubChem CID8864
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,3-diethylbenzene
SMILESCCc1cccc(CC)c1
InChIInChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
InChIKeyAFZZYIJIWUTJFO-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

Analyze 1,3-diethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-diethylbenzene?
The IUPAC name of 1,3-diethylbenzene (CID 8864) is 1,3-diethylbenzene.
What is the SMILES notation for 1,3-diethylbenzene?
The canonical SMILES for 1,3-diethylbenzene is CCc1cccc(CC)c1.
What is the InChIKey of 1,3-diethylbenzene?
The InChIKey is AFZZYIJIWUTJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,3-diethylbenzene?
1,3-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 1,3-diethylbenzene is sourced from PubChem (CID 8864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).