[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene

C17H22O2S — CID 134980499

IUPAC[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene
SMILESC/C=C\C=C\CCCC/C=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h2-5,10-16H,6-9H2,1H3/b3-2-,5-4+,16-13-
InChIKeyQWBRFMOSFYXLCU-JDIXWECQSA-N
MW290.43 g/mol
LogP4.67
Rot. Bonds8

About [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene

[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene (PubChem CID 134980499) has the molecular formula C17H22O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene.

Molecular Properties

Compound Name[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene
PubChem CID134980499
Molecular FormulaC17H22O2S
Molecular Weight290.43 g/mol
Exact Mass290.13
IUPAC Name[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene
SMILESC/C=C\C=C\CCCC/C=C\S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h2-5,10-16H,6-9H2,1H3/b3-2-,5-4+,16-13-
InChIKeyQWBRFMOSFYXLCU-JDIXWECQSA-N
XLogP4.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene?
The IUPAC name of [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene (CID 134980499) is [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene.
What is the SMILES notation for [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene?
The canonical SMILES for [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene is C/C=C\C=C\CCCC/C=C\S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene?
The InChIKey is QWBRFMOSFYXLCU-JDIXWECQSA-N. The full InChI is InChI=1S/C17H22O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h2-5,10-16H,6-9H2,1H3/b3-2-,5-4+,16-13-.
What are the key properties of [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene?
[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene has a molecular weight of 290.43 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene is sourced from PubChem (CID 134980499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).