[(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene

C19H26O2S — CID 58409827

IUPAC[(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene
SMILESC/C=C(/C/C=C(\C)CCC=C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H26O2S/c1-5-18(15-14-17(4)11-9-10-16(2)3)22(20,21)19-12-7-6-8-13-19/h5-8,10,12-14H,9,11,15H2,1-4H3/b17-14+,18-5-
InChIKeyXMWMWPHOKFAWOC-BNVOZXBRSA-N
MW318.48 g/mol
LogP5.45
Rot. Bonds7

About [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene

[(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene (PubChem CID 58409827) has the molecular formula C19H26O2S and a molecular weight of 318.48 g/mol. Its IUPAC name is [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene
PubChem CID58409827
Molecular FormulaC19H26O2S
Molecular Weight318.48 g/mol
Exact Mass318.17
IUPAC Name[(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene
SMILESC/C=C(/C/C=C(\C)CCC=C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H26O2S/c1-5-18(15-14-17(4)11-9-10-16(2)3)22(20,21)19-12-7-6-8-13-19/h5-8,10,12-14H,9,11,15H2,1-4H3/b17-14+,18-5-
InChIKeyXMWMWPHOKFAWOC-BNVOZXBRSA-N
XLogP5.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 144605858
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[(2E,6E)-8-bromo-2,6-dimethylocta-2,6-dienyl]sulfonylbenzene
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Frequently Asked Questions

What is the IUPAC name of [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene?
The IUPAC name of [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene (CID 58409827) is [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene.
What is the SMILES notation for [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene?
The canonical SMILES for [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene is C/C=C(/C/C=C(\C)CCC=C(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene?
The InChIKey is XMWMWPHOKFAWOC-BNVOZXBRSA-N. The full InChI is InChI=1S/C19H26O2S/c1-5-18(15-14-17(4)11-9-10-16(2)3)22(20,21)19-12-7-6-8-13-19/h5-8,10,12-14H,9,11,15H2,1-4H3/b17-14+,18-5-.
What are the key properties of [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene?
[(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene has a molecular weight of 318.48 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene is sourced from PubChem (CID 58409827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).