[(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene

C15H20O2S — CID 13182054

IUPAC[(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene
SMILESCCC/C=C/C=C/C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20O2S/c1-3-4-5-6-8-11-14(2)18(16,17)15-12-9-7-10-13-15/h5-14H,3-4H2,1-2H3/b6-5+,11-8+
InChIKeyZYGZNXYZOFCFEE-BXROQLSZSA-N
MW264.39 g/mol
LogP3.76
Rot. Bonds6

About [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene

[(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene (PubChem CID 13182054) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene
PubChem CID13182054
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name[(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene
SMILESCCC/C=C/C=C/C(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20O2S/c1-3-4-5-6-8-11-14(2)18(16,17)15-12-9-7-10-13-15/h5-14H,3-4H2,1-2H3/b6-5+,11-8+
InChIKeyZYGZNXYZOFCFEE-BXROQLSZSA-N
XLogP3.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.76
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,5E)-nona-3,5-dien-2-yl]sulfonylbenzene?
The IUPAC name of [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene (CID 13182054) is [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene.
What is the SMILES notation for [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene?
The canonical SMILES for [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene is CCC/C=C/C=C/C(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene?
The InChIKey is ZYGZNXYZOFCFEE-BXROQLSZSA-N. The full InChI is InChI=1S/C15H20O2S/c1-3-4-5-6-8-11-14(2)18(16,17)15-12-9-7-10-13-15/h5-14H,3-4H2,1-2H3/b6-5+,11-8+.
What are the key properties of [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene?
[(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene has a molecular weight of 264.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-nona-3,5-dien-2-yl]sulfonylbenzene is sourced from PubChem (CID 13182054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).