1-ethenyl-2-ethylbenzene

C10H12 — CID 24218

IUPAC1-ethenyl-2-ethylbenzene
SMILESC=Cc1ccccc1CC
InChIInChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3
InChIKeyVTPNYMSKBPZSTF-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.89
Rot. Bonds2

About 1-ethenyl-2-ethylbenzene

1-ethenyl-2-ethylbenzene (PubChem CID 24218) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-ethenyl-2-ethylbenzene.

Molecular Properties

Compound Name1-ethenyl-2-ethylbenzene
PubChem CID24218
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1-ethenyl-2-ethylbenzene
SMILESC=Cc1ccccc1CC
InChIInChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3
InChIKeyVTPNYMSKBPZSTF-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

Naphthalene
CID 931
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
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
P-Cymene
CID 7463

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-ethylbenzene?
The IUPAC name of 1-ethenyl-2-ethylbenzene (CID 24218) is 1-ethenyl-2-ethylbenzene.
What is the SMILES notation for 1-ethenyl-2-ethylbenzene?
The canonical SMILES for 1-ethenyl-2-ethylbenzene is C=Cc1ccccc1CC.
What is the InChIKey of 1-ethenyl-2-ethylbenzene?
The InChIKey is VTPNYMSKBPZSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3.
What are the key properties of 1-ethenyl-2-ethylbenzene?
1-ethenyl-2-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-2-ethylbenzene is sourced from PubChem (CID 24218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).