2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene

C26H26 — CID 145158017

IUPAC2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene
SMILESC=CC(=C)C(C=C)=C(/C=C\C)c1c(C=C)c(C=C)c(C)c2ccccc12
InChIInChI=1S/C26H26/c1-8-15-24(20(10-3)18(6)9-2)26-22(12-5)21(11-4)19(7)23-16-13-14-17-25(23)26/h8-17H,2-6H2,1,7H3/b15-8-,24-20+
InChIKeyOXTZOTHYQCGMLI-DCGXJSSRSA-N
MW338.49 g/mol
LogP7.69
Rot. Bonds7

About 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene

2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene (PubChem CID 145158017) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene
PubChem CID145158017
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene
SMILESC=CC(=C)C(C=C)=C(/C=C\C)c1c(C=C)c(C=C)c(C)c2ccccc12
InChIInChI=1S/C26H26/c1-8-15-24(20(10-3)18(6)9-2)26-22(12-5)21(11-4)19(7)23-16-13-14-17-25(23)26/h8-17H,2-6H2,1,7H3/b15-8-,24-20+
InChIKeyOXTZOTHYQCGMLI-DCGXJSSRSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 57.69
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 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene?
The IUPAC name of 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene (CID 145158017) is 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene.
What is the SMILES notation for 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene?
The canonical SMILES for 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene is C=CC(=C)C(C=C)=C(/C=C\C)c1c(C=C)c(C=C)c(C)c2ccccc12.
What is the InChIKey of 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene?
The InChIKey is OXTZOTHYQCGMLI-DCGXJSSRSA-N. The full InChI is InChI=1S/C26H26/c1-8-15-24(20(10-3)18(6)9-2)26-22(12-5)21(11-4)19(7)23-16-13-14-17-25(23)26/h8-17H,2-6H2,1,7H3/b15-8-,24-20+.
What are the key properties of 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene?
2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene has a molecular weight of 338.49 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-[(2Z,4E)-5-ethenyl-6-methylideneocta-2,4,7-trien-4-yl]-4-methylnaphthalene is sourced from PubChem (CID 145158017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).