1,2-bis(ethenyl)benzene;ethene;naphthalene

C22H22 — CID 166536804

IUPAC1,2-bis(ethenyl)benzene;ethene;naphthalene
SMILESC=C.C=Cc1ccccc1C=C.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C10H10.C2H4/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-9-7-5-6-8-10(9)4-2;1-2/h1-8H;3-8H,1-2H2;1-2H2
InChIKeyYFJOXLYRSBAHOH-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.61
Rot. Bonds2

About 1,2-bis(ethenyl)benzene;ethene;naphthalene

1,2-bis(ethenyl)benzene;ethene;naphthalene (PubChem CID 166536804) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;ethene;naphthalene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;ethene;naphthalene
PubChem CID166536804
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1,2-bis(ethenyl)benzene;ethene;naphthalene
SMILESC=C.C=Cc1ccccc1C=C.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C10H10.C2H4/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-9-7-5-6-8-10(9)4-2;1-2/h1-8H;3-8H,1-2H2;1-2H2
InChIKeyYFJOXLYRSBAHOH-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
1-ethenylnaphthalene;propane
CID 90732485
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
naphthalene;prop-1-ene
CID 22255850
2-ethenylphenol
CID 161061609
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102
1-ethenylpicene
CID 174294618
2,3-bis(ethenyl)phenanthrene
CID 144756778

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;ethene;naphthalene?
The IUPAC name of 1,2-bis(ethenyl)benzene;ethene;naphthalene (CID 166536804) is 1,2-bis(ethenyl)benzene;ethene;naphthalene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;ethene;naphthalene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;ethene;naphthalene is C=C.C=Cc1ccccc1C=C.c1ccc2ccccc2c1.
What is the InChIKey of 1,2-bis(ethenyl)benzene;ethene;naphthalene?
The InChIKey is YFJOXLYRSBAHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C10H10.C2H4/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-9-7-5-6-8-10(9)4-2;1-2/h1-8H;3-8H,1-2H2;1-2H2.
What are the key properties of 1,2-bis(ethenyl)benzene;ethene;naphthalene?
1,2-bis(ethenyl)benzene;ethene;naphthalene has a molecular weight of 286.42 g/mol, XLogP of 6.61, 2 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;ethene;naphthalene is sourced from PubChem (CID 166536804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).