[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene

C15H16 — CID 143083537

IUPAC[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
SMILESC=C/C=C\C=C(C)\C=C\c1ccccc1
InChIInChI=1S/C15H16/c1-3-4-6-9-14(2)12-13-15-10-7-5-8-11-15/h3-13H,1H2,2H3/b6-4-,13-12+,14-9+
InChIKeyYLYYTZGEYHLKFB-HOAPCKKBSA-N
MW196.29 g/mol
LogP4.39
Rot. Bonds4

About [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene

[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene (PubChem CID 143083537) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene.

Molecular Properties

Compound Name[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
PubChem CID143083537
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
SMILESC=C/C=C\C=C(C)\C=C\c1ccccc1
InChIInChI=1S/C15H16/c1-3-4-6-9-14(2)12-13-15-10-7-5-8-11-15/h3-13H,1H2,2H3/b6-4-,13-12+,14-9+
InChIKeyYLYYTZGEYHLKFB-HOAPCKKBSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.39
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,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene?
The IUPAC name of [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene (CID 143083537) is [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene.
What is the SMILES notation for [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene?
The canonical SMILES for [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene is C=C/C=C\C=C(C)\C=C\c1ccccc1.
What is the InChIKey of [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene?
The InChIKey is YLYYTZGEYHLKFB-HOAPCKKBSA-N. The full InChI is InChI=1S/C15H16/c1-3-4-6-9-14(2)12-13-15-10-7-5-8-11-15/h3-13H,1H2,2H3/b6-4-,13-12+,14-9+.
What are the key properties of [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene?
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene has a molecular weight of 196.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene is sourced from PubChem (CID 143083537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).