2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene

C12H12 — CID 177322497

IUPAC2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene
SMILESC=Cc1ccc(C=C)c2c1CC2
InChIInChI=1S/C12H12/c1-3-9-5-6-10(4-2)12-8-7-11(9)12/h3-6H,1-2,7-8H2
InChIKeyQOYGIBLBEJWCLC-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.07
Rot. Bonds2

About 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene

2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 177322497) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene
PubChem CID177322497
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene
SMILESC=Cc1ccc(C=C)c2c1CC2
InChIInChI=1S/C12H12/c1-3-9-5-6-10(4-2)12-8-7-11(9)12/h3-6H,1-2,7-8H2
InChIKeyQOYGIBLBEJWCLC-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-ethenyl-5,6,7,8-tetrahydro-1,7-naphthyridine
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5-ethenyl-2-methyl-1,2,3,4-tetrahydronaphthalene
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CID 175428021
CID 67878092
CID 67878092
2-ethenylbicyclo[3.1.1]hepta-1,3,5-triene;hydrochloride
CID 67781099
5,12-bis(ethenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
CID 10777766
2-chloro-1,3,4-tris(ethenyl)benzene
CID 21434290
4-ethenylbenzene-1,2,3-triol
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CID 143743555

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene (CID 177322497) is 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene is C=Cc1ccc(C=C)c2c1CC2.
What is the InChIKey of 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is QOYGIBLBEJWCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-3-9-5-6-10(4-2)12-8-7-11(9)12/h3-6H,1-2,7-8H2.
What are the key properties of 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene?
2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 156.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)bicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 177322497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).