2-ethyl-1,3,4-trimethylbenzene

C11H16 — CID 528692

IUPAC2-ethyl-1,3,4-trimethylbenzene
SMILESCCc1c(C)ccc(C)c1C
InChIInChI=1S/C11H16/c1-5-11-9(3)7-6-8(2)10(11)4/h6-7H,5H2,1-4H3
InChIKeyKQRPSLILDAZZMH-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.17
Rot. Bonds1

About 2-ethyl-1,3,4-trimethylbenzene

2-ethyl-1,3,4-trimethylbenzene (PubChem CID 528692) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-ethyl-1,3,4-trimethylbenzene.

Molecular Properties

Compound Name2-ethyl-1,3,4-trimethylbenzene
PubChem CID528692
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-ethyl-1,3,4-trimethylbenzene
SMILESCCc1c(C)ccc(C)c1C
InChIInChI=1S/C11H16/c1-5-11-9(3)7-6-8(2)10(11)4/h6-7H,5H2,1-4H3
InChIKeyKQRPSLILDAZZMH-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,4-trimethylbenzene?
The IUPAC name of 2-ethyl-1,3,4-trimethylbenzene (CID 528692) is 2-ethyl-1,3,4-trimethylbenzene.
What is the SMILES notation for 2-ethyl-1,3,4-trimethylbenzene?
The canonical SMILES for 2-ethyl-1,3,4-trimethylbenzene is CCc1c(C)ccc(C)c1C.
What is the InChIKey of 2-ethyl-1,3,4-trimethylbenzene?
The InChIKey is KQRPSLILDAZZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-11-9(3)7-6-8(2)10(11)4/h6-7H,5H2,1-4H3.
What are the key properties of 2-ethyl-1,3,4-trimethylbenzene?
2-ethyl-1,3,4-trimethylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,4-trimethylbenzene is sourced from PubChem (CID 528692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).