5-ethenylocta-1,5-dienylbenzene

C16H20 — CID 91256649

IUPAC5-ethenylocta-1,5-dienylbenzene
SMILESC=CC(=CCC)CCC=Cc1ccccc1
InChIInChI=1S/C16H20/c1-3-10-15(4-2)11-8-9-14-16-12-6-5-7-13-16/h4-7,9-10,12-14H,2-3,8,11H2,1H3
InChIKeyNCSZWCNYEUUJQV-UHFFFAOYSA-N
MW212.34 g/mol
LogP5.00
Rot. Bonds6

About 5-ethenylocta-1,5-dienylbenzene

5-ethenylocta-1,5-dienylbenzene (PubChem CID 91256649) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-ethenylocta-1,5-dienylbenzene.

Molecular Properties

Compound Name5-ethenylocta-1,5-dienylbenzene
PubChem CID91256649
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name5-ethenylocta-1,5-dienylbenzene
SMILESC=CC(=CCC)CCC=Cc1ccccc1
InChIInChI=1S/C16H20/c1-3-10-15(4-2)11-8-9-14-16-12-6-5-7-13-16/h4-7,9-10,12-14H,2-3,8,11H2,1H3
InChIKeyNCSZWCNYEUUJQV-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

benzene;but-1-enylbenzene
CID 157481332
(E)-5-phenylpent-4-enoic acid
CID 5370650
hex-1-enylbenzene;prop-1-ene
CID 157442084
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767
(E)-2-methyl-6-phenylhex-5-en-2-ol
CID 82468818
[(1E,3E,5E)-5-ethylocta-1,3,5-trienyl]benzene
CID 177474604
5-methyl-9-phenylnona-4,8-dienal
CID 71394074
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
but-1-enylbenzene;but-3-enylbenzene
CID 161099431
[(E)-octadec-1-enyl]benzene
CID 22722345
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096

Frequently Asked Questions

What is the IUPAC name of 5-ethenylocta-1,5-dienylbenzene?
The IUPAC name of 5-ethenylocta-1,5-dienylbenzene (CID 91256649) is 5-ethenylocta-1,5-dienylbenzene.
What is the SMILES notation for 5-ethenylocta-1,5-dienylbenzene?
The canonical SMILES for 5-ethenylocta-1,5-dienylbenzene is C=CC(=CCC)CCC=Cc1ccccc1.
What is the InChIKey of 5-ethenylocta-1,5-dienylbenzene?
The InChIKey is NCSZWCNYEUUJQV-UHFFFAOYSA-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/h4-7,9-10,12-14H,2-3,8,11H2,1H3.
What are the key properties of 5-ethenylocta-1,5-dienylbenzene?
5-ethenylocta-1,5-dienylbenzene has a molecular weight of 212.34 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylocta-1,5-dienylbenzene is sourced from PubChem (CID 91256649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).