[(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene

C16H20 — CID 177474604

IUPAC[(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene
SMILESCC/C=C(/C=C/C=C/c1ccccc1)CC
InChIInChI=1S/C16H20/c1-3-10-15(4-2)11-8-9-14-16-12-6-5-7-13-16/h5-14H,3-4H2,1-2H3/b11-8+,14-9+,15-10+
InChIKeyNKBFEWPLJTWRQD-UCSOOOIQSA-N
MW212.34 g/mol
LogP5.00
Rot. Bonds5

About [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene

[(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene (PubChem CID 177474604) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene
PubChem CID177474604
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name[(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene
SMILESCC/C=C(/C=C/C=C/c1ccccc1)CC
InChIInChI=1S/C16H20/c1-3-10-15(4-2)11-8-9-14-16-12-6-5-7-13-16/h5-14H,3-4H2,1-2H3/b11-8+,14-9+,15-10+
InChIKeyNKBFEWPLJTWRQD-UCSOOOIQSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.34
LogP ≤ 55.00
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

[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene
CID 142148330
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
[(1E,3E)-2-ethyl-4-phenylbuta-1,3-dienyl]-trimethylsilane
CID 10036853
5-methylideneocta-1,3,7-trienylbenzene
CID 173155039
5-phenylpenta-2,4-dienoic acid;hydrochloride
CID 173012318
5-ethenylocta-1,5-dienylbenzene
CID 91256649
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281

Frequently Asked Questions

What is the IUPAC name of [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene?
The IUPAC name of [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene (CID 177474604) is [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene?
The canonical SMILES for [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene is CC/C=C(/C=C/C=C/c1ccccc1)CC.
What is the InChIKey of [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene?
The InChIKey is NKBFEWPLJTWRQD-UCSOOOIQSA-N. The full InChI is InChI=1S/C16H20/c1-3-10-15(4-2)11-8-9-14-16-12-6-5-7-13-16/h5-14H,3-4H2,1-2H3/b11-8+,14-9+,15-10+.
What are the key properties of [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene?
[(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene has a molecular weight of 212.34 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene is sourced from PubChem (CID 177474604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).