[(1E,4E,8E)-deca-1,4,8-trienyl]benzene

C16H20 — CID 5368425

IUPAC[(1E,4E,8E)-deca-1,4,8-trienyl]benzene
SMILESC/C=C/CC/C=C/C/C=C/c1ccccc1
InChIInChI=1S/C16H20/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h2-3,6-7,9-15H,4-5,8H2,1H3/b3-2+,7-6+,13-10+
InChIKeyIUWUSMXMBLWMJZ-JKGOBDOYSA-N
MW212.34 g/mol
LogP5.00
Rot. Bonds6

About [(1E,4E,8E)-deca-1,4,8-trienyl]benzene

[(1E,4E,8E)-deca-1,4,8-trienyl]benzene (PubChem CID 5368425) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is [(1E,4E,8E)-deca-1,4,8-trienyl]benzene.

Molecular Properties

Compound Name[(1E,4E,8E)-deca-1,4,8-trienyl]benzene
PubChem CID5368425
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name[(1E,4E,8E)-deca-1,4,8-trienyl]benzene
SMILESC/C=C/CC/C=C/C/C=C/c1ccccc1
InChIInChI=1S/C16H20/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h2-3,6-7,9-15H,4-5,8H2,1H3/b3-2+,7-6+,13-10+
InChIKeyIUWUSMXMBLWMJZ-JKGOBDOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
ethane;[(1E,5Z)-hepta-1,5-dienyl]benzene;methoxymethane
CID 143006426
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
benzene;but-1-enylbenzene
CID 157481332
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
(E)-5-phenylpent-4-enal
CID 11105652
(1E,5E)-1-phenylhepta-1,5-dien-4-ol
CID 100975516
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215

Frequently Asked Questions

What is the IUPAC name of [(1E,4E,8E)-deca-1,4,8-trienyl]benzene?
The IUPAC name of [(1E,4E,8E)-deca-1,4,8-trienyl]benzene (CID 5368425) is [(1E,4E,8E)-deca-1,4,8-trienyl]benzene.
What is the SMILES notation for [(1E,4E,8E)-deca-1,4,8-trienyl]benzene?
The canonical SMILES for [(1E,4E,8E)-deca-1,4,8-trienyl]benzene is C/C=C/CC/C=C/C/C=C/c1ccccc1.
What is the InChIKey of [(1E,4E,8E)-deca-1,4,8-trienyl]benzene?
The InChIKey is IUWUSMXMBLWMJZ-JKGOBDOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h2-3,6-7,9-15H,4-5,8H2,1H3/b3-2+,7-6+,13-10+.
What are the key properties of [(1E,4E,8E)-deca-1,4,8-trienyl]benzene?
[(1E,4E,8E)-deca-1,4,8-trienyl]benzene 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 [(1E,4E,8E)-deca-1,4,8-trienyl]benzene is sourced from PubChem (CID 5368425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).