2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene

C10H16O6S3 — CID 90813071

IUPAC2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene
SMILESC=CS(=O)(=O)C(=CS(=O)(=O)CC)C(=C)S(=O)(=O)CC
InChIInChI=1S/C10H16O6S3/c1-5-17(11,12)8-10(19(15,16)7-3)9(4)18(13,14)6-2/h7-8H,3-6H2,1-2H3
InChIKeyCYQKGHWZCKUVGX-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.77
Rot. Bonds7

About 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene

2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene (PubChem CID 90813071) has the molecular formula C10H16O6S3 and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene.

Molecular Properties

Compound Name2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene
PubChem CID90813071
Molecular FormulaC10H16O6S3
Molecular Weight328.43 g/mol
Exact Mass328.01
IUPAC Name2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene
SMILESC=CS(=O)(=O)C(=CS(=O)(=O)CC)C(=C)S(=O)(=O)CC
InChIInChI=1S/C10H16O6S3/c1-5-17(11,12)8-10(19(15,16)7-3)9(4)18(13,14)6-2/h7-8H,3-6H2,1-2H3
InChIKeyCYQKGHWZCKUVGX-UHFFFAOYSA-N
XLogP0.77
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethenylsulfonylethenylsilane
CID 173043318
1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone
CID 141157491
(E)-3-ethylsulfonylpent-3-en-2-one
CID 59172310
bis(1-ethenylsulfonylethene);methanol
CID 19939004
2-ethylsulfonylpenta-2,4-dienenitrile
CID 57251396
N-[1-(ethenylsulfonylamino)ethenyl]ethanesulfonamide
CID 57240818
ethenesulfonic acid;2-methylbuta-1,3-diene
CID 162209988
ethenylsulfonyl propanoate
CID 174963868
1-(1-ethenylsulfonylethenyl)-4-methylbenzene
CID 159516055
(1Z)-2-ethylsulfonyl-1-hydrazinyl-N-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 170047480
ethanesulfonic acid;prop-2-en-1-amine
CID 87401120
2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
CID 551576

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene?
The IUPAC name of 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene (CID 90813071) is 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene.
What is the SMILES notation for 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene?
The canonical SMILES for 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene is C=CS(=O)(=O)C(=CS(=O)(=O)CC)C(=C)S(=O)(=O)CC.
What is the InChIKey of 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene?
The InChIKey is CYQKGHWZCKUVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6S3/c1-5-17(11,12)8-10(19(15,16)7-3)9(4)18(13,14)6-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene?
2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene has a molecular weight of 328.43 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-1,3-bis(ethylsulfonyl)buta-1,3-diene is sourced from PubChem (CID 90813071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).