ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene

C24H36 — CID 144779350

IUPACethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene
SMILESC=C.C=Cc1c(C)ccc(C)c1CC.CC.CCc1ccccc1
InChIInChI=1S/C12H16.C8H10.C2H6.C2H4/c1-5-11-9(3)7-8-10(4)12(11)6-2;1-2-8-6-4-3-5-7-8;2*1-2/h5,7-8H,1,6H2,2-4H3;3-7H,2H2,1H3;1-2H3;1-2H2
InChIKeyWFIXDOPUBBWYCH-UHFFFAOYSA-N
MW324.55 g/mol
LogP7.59
Rot. Bonds3

About ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene

ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene (PubChem CID 144779350) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene.

Molecular Properties

Compound Nameethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene
PubChem CID144779350
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Nameethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene
SMILESC=C.C=Cc1c(C)ccc(C)c1CC.CC.CCc1ccccc1
InChIInChI=1S/C12H16.C8H10.C2H6.C2H4/c1-5-11-9(3)7-8-10(4)12(11)6-2;1-2-8-6-4-3-5-7-8;2*1-2/h5,7-8H,1,6H2,2-4H3;3-7H,2H2,1H3;1-2H3;1-2H2
InChIKeyWFIXDOPUBBWYCH-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene?
The IUPAC name of ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene (CID 144779350) is ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene.
What is the SMILES notation for ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene?
The canonical SMILES for ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene is C=C.C=Cc1c(C)ccc(C)c1CC.CC.CCc1ccccc1.
What is the InChIKey of ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene?
The InChIKey is WFIXDOPUBBWYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C8H10.C2H6.C2H4/c1-5-11-9(3)7-8-10(4)12(11)6-2;1-2-8-6-4-3-5-7-8;2*1-2/h5,7-8H,1,6H2,2-4H3;3-7H,2H2,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene?
ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene has a molecular weight of 324.55 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-ethenyl-3-ethyl-1,4-dimethylbenzene;ethylbenzene is sourced from PubChem (CID 144779350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).