[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene

C14H14O2S — CID 134299911

IUPAC[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene
SMILESC=C/C=C\C=C(/C=C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O2S/c1-3-5-7-10-13(4-2)17(15,16)14-11-8-6-9-12-14/h3-12H,1-2H2/b7-5-,13-10+
InChIKeyQCFYPGBSBJUYMZ-PBHGGESISA-N
MW246.33 g/mol
LogP3.27
Rot. Bonds5

About [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene

[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene (PubChem CID 134299911) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene
PubChem CID134299911
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene
SMILESC=C/C=C\C=C(/C=C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14O2S/c1-3-5-7-10-13(4-2)17(15,16)14-11-8-6-9-12-14/h3-12H,1-2H2/b7-5-,13-10+
InChIKeyQCFYPGBSBJUYMZ-PBHGGESISA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene?
The IUPAC name of [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene (CID 134299911) is [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene.
What is the SMILES notation for [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene?
The canonical SMILES for [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene is C=C/C=C\C=C(/C=C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene?
The InChIKey is QCFYPGBSBJUYMZ-PBHGGESISA-N. The full InChI is InChI=1S/C14H14O2S/c1-3-5-7-10-13(4-2)17(15,16)14-11-8-6-9-12-14/h3-12H,1-2H2/b7-5-,13-10+.
What are the key properties of [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene?
[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]sulfonylbenzene is sourced from PubChem (CID 134299911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).