1,6-bis(ethylsulfonyl)hexa-1,3,5-triene

C10H16O4S2 — CID 57048521

IUPAC1,6-bis(ethylsulfonyl)hexa-1,3,5-triene
SMILESCCS(=O)(=O)C=CC=CC=CS(=O)(=O)CC
InChIInChI=1S/C10H16O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h5-10H,3-4H2,1-2H3
InChIKeyYSKKCEMVYDAZFL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.44
Rot. Bonds6

About 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene

1,6-bis(ethylsulfonyl)hexa-1,3,5-triene (PubChem CID 57048521) has the molecular formula C10H16O4S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name1,6-bis(ethylsulfonyl)hexa-1,3,5-triene
PubChem CID57048521
Molecular FormulaC10H16O4S2
Molecular Weight264.37 g/mol
Exact Mass264.05
IUPAC Name1,6-bis(ethylsulfonyl)hexa-1,3,5-triene
SMILESCCS(=O)(=O)C=CC=CC=CS(=O)(=O)CC
InChIInChI=1S/C10H16O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h5-10H,3-4H2,1-2H3
InChIKeyYSKKCEMVYDAZFL-UHFFFAOYSA-N
XLogP1.44
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 6254835
(1Z,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 5286933
1-chloro-2-ethylsulfonylethene
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1-(4-pentylsulfonylbuta-1,3-dienylsulfonyl)pentane
CID 173411073
1-ethylsulfonylpent-1-ene
CID 57276747
1,4-bis(2-ethylsulfonylethenyl)benzene
CID 57028343
(E)-1-ethylsulfonyl-3-methoxyprop-1-ene
CID 99990264
1-(2-propylsulfonylethenylsulfonyl)propane
CID 14212
2-(2-ethylsulfonylethenoxy)ethanamine
CID 57122229
(E)-3-ethylsulfonyl-N-(2-methoxyethyl)-N-methylprop-2-en-1-amine
CID 138573012
2-amino-4-ethylsulfonylbut-3-enoic acid
CID 90872903
2-ethylsulfonylethenyl carbamimidothioate
CID 2827191

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene?
The IUPAC name of 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene (CID 57048521) is 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene.
What is the SMILES notation for 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene?
The canonical SMILES for 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene is CCS(=O)(=O)C=CC=CC=CS(=O)(=O)CC.
What is the InChIKey of 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene?
The InChIKey is YSKKCEMVYDAZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S2/c1-3-15(11,12)9-7-5-6-8-10-16(13,14)4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene?
1,6-bis(ethylsulfonyl)hexa-1,3,5-triene has a molecular weight of 264.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(ethylsulfonyl)hexa-1,3,5-triene is sourced from PubChem (CID 57048521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).