[(3E,5E)-nona-1,3,5-trien-3-yl]benzene

C15H18 — CID 100974520

IUPAC[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
SMILESC=C/C(=C\C=C\CCC)c1ccccc1
InChIInChI=1S/C15H18/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h4,6-13H,2-3,5H2,1H3/b8-6+,14-11+
InChIKeyPBCQVYLSRYFGKU-SIGMCMEVSA-N
MW198.31 g/mol
LogP4.61
Rot. Bonds5

About [(3E,5E)-nona-1,3,5-trien-3-yl]benzene

[(3E,5E)-nona-1,3,5-trien-3-yl]benzene (PubChem CID 100974520) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(3E,5E)-nona-1,3,5-trien-3-yl]benzene.

Molecular Properties

Compound Name[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
PubChem CID100974520
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
SMILESC=C/C(=C\C=C\CCC)c1ccccc1
InChIInChI=1S/C15H18/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h4,6-13H,2-3,5H2,1H3/b8-6+,14-11+
InChIKeyPBCQVYLSRYFGKU-SIGMCMEVSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.61
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 [(3E,5E)-nona-1,3,5-trien-3-yl]benzene?
The IUPAC name of [(3E,5E)-nona-1,3,5-trien-3-yl]benzene (CID 100974520) is [(3E,5E)-nona-1,3,5-trien-3-yl]benzene.
What is the SMILES notation for [(3E,5E)-nona-1,3,5-trien-3-yl]benzene?
The canonical SMILES for [(3E,5E)-nona-1,3,5-trien-3-yl]benzene is C=C/C(=C\C=C\CCC)c1ccccc1.
What is the InChIKey of [(3E,5E)-nona-1,3,5-trien-3-yl]benzene?
The InChIKey is PBCQVYLSRYFGKU-SIGMCMEVSA-N. The full InChI is InChI=1S/C15H18/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h4,6-13H,2-3,5H2,1H3/b8-6+,14-11+.
What are the key properties of [(3E,5E)-nona-1,3,5-trien-3-yl]benzene?
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-nona-1,3,5-trien-3-yl]benzene is sourced from PubChem (CID 100974520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).