[(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene

C17H20O2S — CID 15469640

IUPAC[(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene
SMILESC=C/C=C/CCCCC=C=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h2-4,9-12,14-16H,1,5-8H2/b4-3+
InChIKeyONIPBABHBPKUSZ-ONEGZZNKSA-N
MW288.41 g/mol
LogP4.43
Rot. Bonds8

About [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene

[(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene (PubChem CID 15469640) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene.

Molecular Properties

Compound Name[(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene
PubChem CID15469640
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name[(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene
SMILESC=C/C=C/CCCCC=C=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h2-4,9-12,14-16H,1,5-8H2/b4-3+
InChIKeyONIPBABHBPKUSZ-ONEGZZNKSA-N
XLogP4.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.43
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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Related Compounds

imino-[(1E,6E)-nona-1,6,8-trienyl]-oxo-phenyl-lambda6-sulfane
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CID 134980499
(113C)ethenylsulfonylbenzene
CID 66995821
2-(benzenesulfonyl)ethenimine
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1-phenyldeca-2,7,9-trien-1-one
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[(6E)-4-(benzenesulfonyl)nona-6,8-dien-1-yn-4-yl]sulfonylbenzene
CID 101452070
dodeca-9,11-dienal
CID 543135
tetradeca-1,3,9,12-tetraene
CID 174407710
(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
CID 100930005
undeca-8,10-dienylidenecyclopropane
CID 90801757
2-(benzenesulfonyl)hexadeca-14,15-dienoic acid
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1-(benzenesulfonyl)hept-6-enylgermane
CID 175532573

Frequently Asked Questions

What is the IUPAC name of [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene?
The IUPAC name of [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene (CID 15469640) is [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene.
What is the SMILES notation for [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene?
The canonical SMILES for [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene is C=C/C=C/CCCCC=C=CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene?
The InChIKey is ONIPBABHBPKUSZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H20O2S/c1-2-3-4-5-6-7-8-9-13-16-20(18,19)17-14-11-10-12-15-17/h2-4,9-12,14-16H,1,5-8H2/b4-3+.
What are the key properties of [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene?
[(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene has a molecular weight of 288.41 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-undeca-1,2,8,10-tetraenyl]sulfonylbenzene is sourced from PubChem (CID 15469640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).