1-ethenyl-2-ethyl-4-methylbenzene

C11H14 — CID 18626822

IUPAC1-ethenyl-2-ethyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1CC
InChIInChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyIYHQXDKVNSEVPT-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.20
Rot. Bonds2

About 1-ethenyl-2-ethyl-4-methylbenzene

1-ethenyl-2-ethyl-4-methylbenzene (PubChem CID 18626822) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-ethenyl-2-ethyl-4-methylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-ethyl-4-methylbenzene
PubChem CID18626822
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1-ethenyl-2-ethyl-4-methylbenzene
SMILESC=Cc1ccc(C)cc1CC
InChIInChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyIYHQXDKVNSEVPT-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-ethyl-4-methylbenzene?
The IUPAC name of 1-ethenyl-2-ethyl-4-methylbenzene (CID 18626822) is 1-ethenyl-2-ethyl-4-methylbenzene.
What is the SMILES notation for 1-ethenyl-2-ethyl-4-methylbenzene?
The canonical SMILES for 1-ethenyl-2-ethyl-4-methylbenzene is C=Cc1ccc(C)cc1CC.
What is the InChIKey of 1-ethenyl-2-ethyl-4-methylbenzene?
The InChIKey is IYHQXDKVNSEVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-4-10-7-6-9(3)8-11(10)5-2/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 1-ethenyl-2-ethyl-4-methylbenzene?
1-ethenyl-2-ethyl-4-methylbenzene has a molecular weight of 146.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethyl-4-methylbenzene is sourced from PubChem (CID 18626822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).