but-2-enylbenzene;ethylbenzene

C18H22 — CID 162289742

IUPACbut-2-enylbenzene;ethylbenzene
SMILESCC=CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/C10H12.C8H10/c1-2-3-7-10-8-5-4-6-9-10;1-2-8-6-4-3-5-7-8/h2-6,8-9H,7H2,1H3;3-7H,2H2,1H3
InChIKeyMDUXVEATLQWELD-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.05
Rot. Bonds3

About but-2-enylbenzene;ethylbenzene

but-2-enylbenzene;ethylbenzene (PubChem CID 162289742) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is but-2-enylbenzene;ethylbenzene.

Molecular Properties

Compound Namebut-2-enylbenzene;ethylbenzene
PubChem CID162289742
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Namebut-2-enylbenzene;ethylbenzene
SMILESCC=CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/C10H12.C8H10/c1-2-3-7-10-8-5-4-6-9-10;1-2-8-6-4-3-5-7-8/h2-6,8-9H,7H2,1H3;3-7H,2H2,1H3
InChIKeyMDUXVEATLQWELD-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

but-2-enylbenzene;prop-1-ene
CID 159250462
ethylcyclodecapentaene
CID 90861705
but-2-enylbenzene;3-methylbut-3-enylbenzene
CID 157229371
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
ethylbenzene;2-methylbut-2-ene
CID 145143829
ethylbenzene;propane;hydroiodide
CID 142182216
ethane;ethylbenzene;propane
CID 91199618
ethylbenzene;2-methylpropan-2-amine
CID 142271167
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
[(E)-oct-2-enyl]benzene
CID 13383320

Frequently Asked Questions

What is the IUPAC name of but-2-enylbenzene;ethylbenzene?
The IUPAC name of but-2-enylbenzene;ethylbenzene (CID 162289742) is but-2-enylbenzene;ethylbenzene.
What is the SMILES notation for but-2-enylbenzene;ethylbenzene?
The canonical SMILES for but-2-enylbenzene;ethylbenzene is CC=CCc1ccccc1.CCc1ccccc1.
What is the InChIKey of but-2-enylbenzene;ethylbenzene?
The InChIKey is MDUXVEATLQWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C8H10/c1-2-3-7-10-8-5-4-6-9-10;1-2-8-6-4-3-5-7-8/h2-6,8-9H,7H2,1H3;3-7H,2H2,1H3.
What are the key properties of but-2-enylbenzene;ethylbenzene?
but-2-enylbenzene;ethylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enylbenzene;ethylbenzene is sourced from PubChem (CID 162289742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).