[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene

C20H24 — CID 142480935

IUPAC[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene
SMILESC=C/C=C\C(=C/C)\C(=C\C=C\c1ccccc1)CCC
InChIInChI=1S/C20H24/c1-4-7-16-19(6-3)20(12-5-2)17-11-15-18-13-9-8-10-14-18/h4,6-11,13-17H,1,5,12H2,2-3H3/b15-11+,16-7-,19-6+,20-17+
InChIKeyPQTPONDNOMPAQX-SUWWJSBESA-N
MW264.41 g/mol
LogP6.11
Rot. Bonds7

About [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene

[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene (PubChem CID 142480935) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene.

Molecular Properties

Compound Name[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene
PubChem CID142480935
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene
SMILESC=C/C=C\C(=C/C)\C(=C\C=C\c1ccccc1)CCC
InChIInChI=1S/C20H24/c1-4-7-16-19(6-3)20(12-5-2)17-11-15-18-13-9-8-10-14-18/h4,6-11,13-17H,1,5,12H2,2-3H3/b15-11+,16-7-,19-6+,20-17+
InChIKeyPQTPONDNOMPAQX-SUWWJSBESA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.11
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 [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene?
The IUPAC name of [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene (CID 142480935) is [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene.
What is the SMILES notation for [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene?
The canonical SMILES for [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene is C=C/C=C\C(=C/C)\C(=C\C=C\c1ccccc1)CCC.
What is the InChIKey of [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene?
The InChIKey is PQTPONDNOMPAQX-SUWWJSBESA-N. The full InChI is InChI=1S/C20H24/c1-4-7-16-19(6-3)20(12-5-2)17-11-15-18-13-9-8-10-14-18/h4,6-11,13-17H,1,5,12H2,2-3H3/b15-11+,16-7-,19-6+,20-17+.
What are the key properties of [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene?
[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene has a molecular weight of 264.41 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene is sourced from PubChem (CID 142480935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).