[(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene

C16H22O3S — CID 102470792

IUPAC[(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene
SMILESCCCC/C=C(/C=C/COC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22O3S/c1-3-4-6-10-16(13-9-14-19-2)20(17,18)15-11-7-5-8-12-15/h5,7-13H,3-4,6,14H2,1-2H3/b13-9+,16-10-
InChIKeyJRUURIULUCXOEC-AJVLGPTGSA-N
MW294.42 g/mol
LogP3.74
Rot. Bonds8

About [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene

[(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene (PubChem CID 102470792) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene.

Molecular Properties

Compound Name[(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene
PubChem CID102470792
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name[(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene
SMILESCCCC/C=C(/C=C/COC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H22O3S/c1-3-4-6-10-16(13-9-14-19-2)20(17,18)15-11-7-5-8-12-15/h5,7-13H,3-4,6,14H2,1-2H3/b13-9+,16-10-
InChIKeyJRUURIULUCXOEC-AJVLGPTGSA-N
XLogP3.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(Isopropenylsulfonyl)benzene
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[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
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1-Methyl-propa-1,2-dienylsulfonyl-benzene
CID 11830311
Benzene, [(2-methoxyethenyl)sulfonyl]-, (E)-
CID 5367013
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2-Prop-2-enoxyprop-2-enylsulfonylbenzene
CID 12808968
(4-Ethoxycyclohexen-1-yl)sulfonylbenzene
CID 13897760
[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene
CID 132507900
carbon monoxide;[(Z)-1,4-diethoxy-4-methyl-3-phenylsulfanylpent-2-enylidene]chromium
CID 135077081

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene?
The IUPAC name of [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene (CID 102470792) is [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene.
What is the SMILES notation for [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene?
The canonical SMILES for [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene is CCCC/C=C(/C=C/COC)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene?
The InChIKey is JRUURIULUCXOEC-AJVLGPTGSA-N. The full InChI is InChI=1S/C16H22O3S/c1-3-4-6-10-16(13-9-14-19-2)20(17,18)15-11-7-5-8-12-15/h5,7-13H,3-4,6,14H2,1-2H3/b13-9+,16-10-.
What are the key properties of [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene?
[(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene has a molecular weight of 294.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-1-methoxynona-2,4-dien-4-yl]sulfonylbenzene is sourced from PubChem (CID 102470792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).