1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane

C18H28 — CID 143099406

IUPAC1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
SMILESC=CC=C.C=Cc1ccccc1C=C.CC.CC
InChIInChI=1S/C10H10.C4H6.2C2H6/c1-3-9-7-5-6-8-10(9)4-2;1-3-4-2;2*1-2/h3-8H,1-2H2;3-4H,1-2H2;2*1-2H3
InChIKeySAUGIGJQHQHCMO-UHFFFAOYSA-N
MW244.42 g/mol
LogP6.38
Rot. Bonds3

About 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane

1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane (PubChem CID 143099406) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
PubChem CID143099406
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
SMILESC=CC=C.C=Cc1ccccc1C=C.CC.CC
InChIInChI=1S/C10H10.C4H6.2C2H6/c1-3-9-7-5-6-8-10(9)4-2;1-3-4-2;2*1-2/h3-8H,1-2H2;3-4H,1-2H2;2*1-2H3
InChIKeySAUGIGJQHQHCMO-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
CID 143654751
1,2-bis(ethenyl)benzene;ethene;naphthalene
CID 166536804
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102
1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
CID 162247147
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
2,3-bis(ethenyl)naphthalene;ethane
CID 142152066
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane?
The IUPAC name of 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane (CID 143099406) is 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane?
The canonical SMILES for 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane is C=CC=C.C=Cc1ccccc1C=C.CC.CC.
What is the InChIKey of 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane?
The InChIKey is SAUGIGJQHQHCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C4H6.2C2H6/c1-3-9-7-5-6-8-10(9)4-2;1-3-4-2;2*1-2/h3-8H,1-2H2;3-4H,1-2H2;2*1-2H3.
What are the key properties of 1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane?
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane has a molecular weight of 244.42 g/mol, XLogP of 6.38, 3 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;buta-1,3-diene;ethane is sourced from PubChem (CID 143099406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).