1,4-bis(ethenyl)-2-ethylbenzene

C12H14 — CID 57040233

IUPAC1,4-bis(ethenyl)-2-ethylbenzene
SMILESC=Cc1ccc(C=C)c(CC)c1
InChIInChI=1S/C12H14/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-5,7-9H,1-2,6H2,3H3
InChIKeyHWPKEDHQCPZMRZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.54
Rot. Bonds3

About 1,4-bis(ethenyl)-2-ethylbenzene

1,4-bis(ethenyl)-2-ethylbenzene (PubChem CID 57040233) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,4-bis(ethenyl)-2-ethylbenzene.

Molecular Properties

Compound Name1,4-bis(ethenyl)-2-ethylbenzene
PubChem CID57040233
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1,4-bis(ethenyl)-2-ethylbenzene
SMILESC=Cc1ccc(C=C)c(CC)c1
InChIInChI=1S/C12H14/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-5,7-9H,1-2,6H2,3H3
InChIKeyHWPKEDHQCPZMRZ-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)-2-ethylbenzene?
The IUPAC name of 1,4-bis(ethenyl)-2-ethylbenzene (CID 57040233) is 1,4-bis(ethenyl)-2-ethylbenzene.
What is the SMILES notation for 1,4-bis(ethenyl)-2-ethylbenzene?
The canonical SMILES for 1,4-bis(ethenyl)-2-ethylbenzene is C=Cc1ccc(C=C)c(CC)c1.
What is the InChIKey of 1,4-bis(ethenyl)-2-ethylbenzene?
The InChIKey is HWPKEDHQCPZMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-5,7-9H,1-2,6H2,3H3.
What are the key properties of 1,4-bis(ethenyl)-2-ethylbenzene?
1,4-bis(ethenyl)-2-ethylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)-2-ethylbenzene is sourced from PubChem (CID 57040233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).