1-ethenyl-4-ethylbenzene

C10H12 — CID 18940

IUPAC1-ethenyl-4-ethylbenzene
SMILESC=Cc1ccc(CC)cc1
InChIInChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKeyWHFHDVDXYKOSKI-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.89
Rot. Bonds2

About 1-ethenyl-4-ethylbenzene

1-ethenyl-4-ethylbenzene (PubChem CID 18940) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-ethenyl-4-ethylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-ethylbenzene
PubChem CID18940
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1-ethenyl-4-ethylbenzene
SMILESC=Cc1ccc(CC)cc1
InChIInChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKeyWHFHDVDXYKOSKI-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-ethylbenzene?
The IUPAC name of 1-ethenyl-4-ethylbenzene (CID 18940) is 1-ethenyl-4-ethylbenzene.
What is the SMILES notation for 1-ethenyl-4-ethylbenzene?
The canonical SMILES for 1-ethenyl-4-ethylbenzene is C=Cc1ccc(CC)cc1.
What is the InChIKey of 1-ethenyl-4-ethylbenzene?
The InChIKey is WHFHDVDXYKOSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3.
What are the key properties of 1-ethenyl-4-ethylbenzene?
1-ethenyl-4-ethylbenzene has a molecular weight of 132.21 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-ethylbenzene is sourced from PubChem (CID 18940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).