1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene

C40H42 — CID 137319863

IUPAC1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
SMILESC=Cc1ccc(C=C)cc1.C=Cc1ccc(CC)cc1.C=Cc1cccc(C=C)c1.C=Cc1ccccc1C=C
InChIInChI=1S/C10H12.3C10H10/c2*1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3;3*3-8H,1-2H2
InChIKeyJLUCUARIIDUONX-UHFFFAOYSA-N
MW522.78 g/mol
LogP11.81
Rot. Bonds8

About 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene

1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene (PubChem CID 137319863) has the molecular formula C40H42 and a molecular weight of 522.78 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
PubChem CID137319863
Molecular FormulaC40H42
Molecular Weight522.78 g/mol
Exact Mass522.33
IUPAC Name1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
SMILESC=Cc1ccc(C=C)cc1.C=Cc1ccc(CC)cc1.C=Cc1cccc(C=C)c1.C=Cc1ccccc1C=C
InChIInChI=1S/C10H12.3C10H10/c2*1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3;3*3-8H,1-2H2
InChIKeyJLUCUARIIDUONX-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.78
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-3-ethylbenzene;1-ethenyl-2-methoxybenzene
CID 122483401
1-ethenyl-3-[4-(4-ethylphenyl)phenyl]benzene
CID 174010619
ethylbenzene;methane;styrene;hydrate
CID 169425917
1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
CID 159036970
1-ethenyl-4-ethylbenzene;3-methylidenehex-1-ene;prop-2-enoic acid;styrene
CID 173451508
ethylbenzene;prop-2-enenitrile;styrene
CID 139367010
1,2-bis(ethenyl)-4-(4-ethylphenyl)benzene
CID 156753876
1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
CID 175399717
1,4-bis(ethenyl)-2-ethylbenzene
CID 57040233
1-ethenyl-4-ethylbenzene;pyrrolidine
CID 174791153
1-butyl-2-ethenylbenzene;1-butyl-4-ethenylbenzene
CID 158873338
1,3-bis(ethenyl)benzene;platinum;hexahydrochloride
CID 175502891

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene?
The IUPAC name of 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene (CID 137319863) is 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene is C=Cc1ccc(C=C)cc1.C=Cc1ccc(CC)cc1.C=Cc1cccc(C=C)c1.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene?
The InChIKey is JLUCUARIIDUONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.3C10H10/c2*1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2/h3,5-8H,1,4H2,2H3;3*3-8H,1-2H2.
What are the key properties of 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene?
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene has a molecular weight of 522.78 g/mol, XLogP of 11.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene is sourced from PubChem (CID 137319863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).