1,2-bis(ethenyl)benzene;hexylbenzene

C22H28 — CID 175593213

IUPAC1,2-bis(ethenyl)benzene;hexylbenzene
SMILESC=Cc1ccccc1C=C.CCCCCCc1ccccc1
InChIInChI=1S/C12H18.C10H10/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-9-7-5-6-8-10(9)4-2/h5,7-8,10-11H,2-4,6,9H2,1H3;3-8H,1-2H2
InChIKeyLYSPNCPTYXCYDC-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.78
Rot. Bonds7

About 1,2-bis(ethenyl)benzene;hexylbenzene

1,2-bis(ethenyl)benzene;hexylbenzene (PubChem CID 175593213) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;hexylbenzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;hexylbenzene
PubChem CID175593213
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1,2-bis(ethenyl)benzene;hexylbenzene
SMILESC=Cc1ccccc1C=C.CCCCCCc1ccccc1
InChIInChI=1S/C12H18.C10H10/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-9-7-5-6-8-10(9)4-2/h5,7-8,10-11H,2-4,6,9H2,1H3;3-8H,1-2H2
InChIKeyLYSPNCPTYXCYDC-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethenylsilane;heptylbenzene
CID 174982410
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
1-ethenyl-2-(4-hexylphenyl)benzene
CID 173095750
potassium;hydride;octadecylbenzene
CID 173344678

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;hexylbenzene?
The IUPAC name of 1,2-bis(ethenyl)benzene;hexylbenzene (CID 175593213) is 1,2-bis(ethenyl)benzene;hexylbenzene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;hexylbenzene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;hexylbenzene is C=Cc1ccccc1C=C.CCCCCCc1ccccc1.
What is the InChIKey of 1,2-bis(ethenyl)benzene;hexylbenzene?
The InChIKey is LYSPNCPTYXCYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C10H10/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-3-9-7-5-6-8-10(9)4-2/h5,7-8,10-11H,2-4,6,9H2,1H3;3-8H,1-2H2.
What are the key properties of 1,2-bis(ethenyl)benzene;hexylbenzene?
1,2-bis(ethenyl)benzene;hexylbenzene has a molecular weight of 292.47 g/mol, XLogP of 6.78, 7 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;hexylbenzene is sourced from PubChem (CID 175593213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).