1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene

C17H18 — CID 142381908

IUPAC1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene
SMILESC=C/C=C\C=C(/C)c1cccc(C=C)c1C=C
InChIInChI=1S/C17H18/c1-5-8-9-11-14(4)17-13-10-12-15(6-2)16(17)7-3/h5-13H,1-3H2,4H3/b9-8-,14-11+
InChIKeyCWXUQHANQFUVJP-YDHKZIGXSA-N
MW222.33 g/mol
LogP5.12
Rot. Bonds5

About 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene

1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene (PubChem CID 142381908) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene
PubChem CID142381908
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene
SMILESC=C/C=C\C=C(/C)c1cccc(C=C)c1C=C
InChIInChI=1S/C17H18/c1-5-8-9-11-14(4)17-13-10-12-15(6-2)16(17)7-3/h5-13H,1-3H2,4H3/b9-8-,14-11+
InChIKeyCWXUQHANQFUVJP-YDHKZIGXSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene?
The IUPAC name of 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene (CID 142381908) is 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene.
What is the SMILES notation for 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene?
The canonical SMILES for 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene is C=C/C=C\C=C(/C)c1cccc(C=C)c1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene?
The InChIKey is CWXUQHANQFUVJP-YDHKZIGXSA-N. The full InChI is InChI=1S/C17H18/c1-5-8-9-11-14(4)17-13-10-12-15(6-2)16(17)7-3/h5-13H,1-3H2,4H3/b9-8-,14-11+.
What are the key properties of 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene?
1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene has a molecular weight of 222.33 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene is sourced from PubChem (CID 142381908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).