1-ethyl-2,3-dimethylbenzene

C10H14 — CID 13621

IUPAC1-ethyl-2,3-dimethylbenzene
SMILESCCc1cccc(C)c1C
InChIInChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3
InChIKeyQUBBAXISAHIDNM-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.87
Rot. Bonds1

About 1-ethyl-2,3-dimethylbenzene

1-ethyl-2,3-dimethylbenzene (PubChem CID 13621) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3-dimethylbenzene
PubChem CID13621
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethyl-2,3-dimethylbenzene
SMILESCCc1cccc(C)c1C
InChIInChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3
InChIKeyQUBBAXISAHIDNM-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-2,3-dimethylbenzene?
The IUPAC name of 1-ethyl-2,3-dimethylbenzene (CID 13621) is 1-ethyl-2,3-dimethylbenzene.
What is the SMILES notation for 1-ethyl-2,3-dimethylbenzene?
The canonical SMILES for 1-ethyl-2,3-dimethylbenzene is CCc1cccc(C)c1C.
What is the InChIKey of 1-ethyl-2,3-dimethylbenzene?
The InChIKey is QUBBAXISAHIDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,3-dimethylbenzene?
1-ethyl-2,3-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-2,3-dimethylbenzene is sourced from PubChem (CID 13621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).