1-ethyl-3,5-dimethylbenzene

C10H14 — CID 13627

IUPAC1-ethyl-3,5-dimethylbenzene
SMILESCCc1cc(C)cc(C)c1
InChIInChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChIKeyLMAUULKNZLEMGN-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.87
Rot. Bonds1

About 1-ethyl-3,5-dimethylbenzene

1-ethyl-3,5-dimethylbenzene (PubChem CID 13627) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-ethyl-3,5-dimethylbenzene
PubChem CID13627
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethyl-3,5-dimethylbenzene
SMILESCCc1cc(C)cc(C)c1
InChIInChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChIKeyLMAUULKNZLEMGN-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethylbenzene?
The IUPAC name of 1-ethyl-3,5-dimethylbenzene (CID 13627) is 1-ethyl-3,5-dimethylbenzene.
What is the SMILES notation for 1-ethyl-3,5-dimethylbenzene?
The canonical SMILES for 1-ethyl-3,5-dimethylbenzene is CCc1cc(C)cc(C)c1.
What is the InChIKey of 1-ethyl-3,5-dimethylbenzene?
The InChIKey is LMAUULKNZLEMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethylbenzene?
1-ethyl-3,5-dimethylbenzene has a molecular weight of 134.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethylbenzene is sourced from PubChem (CID 13627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).