[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene

C15H18 — CID 142095527

IUPAC[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
SMILESCC/C=C\C=C/C/C=C/c1ccccc1
InChIInChI=1S/C15H18/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h3-6,8-14H,2,7H2,1H3/b4-3-,6-5-,12-9+
InChIKeyXGHRZWRJWDKSKH-NRWFLPLCSA-N
MW198.31 g/mol
LogP4.61
Rot. Bonds5

About [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene

[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene (PubChem CID 142095527) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene.

Molecular Properties

Compound Name[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
PubChem CID142095527
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
SMILESCC/C=C\C=C/C/C=C/c1ccccc1
InChIInChI=1S/C15H18/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h3-6,8-14H,2,7H2,1H3/b4-3-,6-5-,12-9+
InChIKeyXGHRZWRJWDKSKH-NRWFLPLCSA-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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Related Compounds

benzene;but-1-enylbenzene
CID 157481332
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
but-1-enylbenzene;phenoxybenzene
CID 175609674
but-1-enylbenzene;but-3-enylbenzene
CID 161099431
[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
CID 10726289
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
[(1E,4E,8E)-deca-1,4,8-trienyl]benzene
CID 5368425
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
2-[(1Z,3Z)-hexa-1,3-dienyl]phenol
CID 89362238
acetyloxysilyl acetate;but-1-enylbenzene
CID 174652412

Frequently Asked Questions

What is the IUPAC name of [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene?
The IUPAC name of [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene (CID 142095527) is [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene.
What is the SMILES notation for [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene?
The canonical SMILES for [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene is CC/C=C\C=C/C/C=C/c1ccccc1.
What is the InChIKey of [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene?
The InChIKey is XGHRZWRJWDKSKH-NRWFLPLCSA-N. The full InChI is InChI=1S/C15H18/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h3-6,8-14H,2,7H2,1H3/b4-3-,6-5-,12-9+.
What are the key properties of [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene?
[(1E,4Z,6Z)-nona-1,4,6-trienyl]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 [(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene is sourced from PubChem (CID 142095527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).