1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol

C15H28O9S2 — CID 19938735

IUPAC1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol
SMILESC=CS(=O)(=O)C=C.C=CS(=O)(=O)CCC(O)C(OC)OCCOCCO
InChIInChI=1S/C11H22O7S.C4H6O2S/c1-3-19(14,15)9-4-10(13)11(16-2)18-8-7-17-6-5-12;1-3-7(5,6)4-2/h3,10-13H,1,4-9H2,2H3;3-4H,1-2H2
InChIKeyWCCLHGNEWXZBNK-UHFFFAOYSA-N
MW416.51 g/mol
LogP-0.02
Rot. Bonds14

About 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol

1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol (PubChem CID 19938735) has the molecular formula C15H28O9S2 and a molecular weight of 416.51 g/mol. Its IUPAC name is 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol
PubChem CID19938735
Molecular FormulaC15H28O9S2
Molecular Weight416.51 g/mol
Exact Mass416.12
IUPAC Name1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol
SMILESC=CS(=O)(=O)C=C.C=CS(=O)(=O)CCC(O)C(OC)OCCOCCO
InChIInChI=1S/C11H22O7S.C4H6O2S/c1-3-19(14,15)9-4-10(13)11(16-2)18-8-7-17-6-5-12;1-3-7(5,6)4-2/h3,10-13H,1,4-9H2,2H3;3-4H,1-2H2
InChIKeyWCCLHGNEWXZBNK-UHFFFAOYSA-N
XLogP-0.02
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol?
The IUPAC name of 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol (CID 19938735) is 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol.
What is the SMILES notation for 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol?
The canonical SMILES for 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol is C=CS(=O)(=O)C=C.C=CS(=O)(=O)CCC(O)C(OC)OCCOCCO.
What is the InChIKey of 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol?
The InChIKey is WCCLHGNEWXZBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O7S.C4H6O2S/c1-3-19(14,15)9-4-10(13)11(16-2)18-8-7-17-6-5-12;1-3-7(5,6)4-2/h3,10-13H,1,4-9H2,2H3;3-4H,1-2H2.
What are the key properties of 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol?
1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol has a molecular weight of 416.51 g/mol, XLogP of -0.02, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonylethene;4-ethenylsulfonyl-1-[2-(2-hydroxyethoxy)ethoxy]-1-methoxybutan-2-ol is sourced from PubChem (CID 19938735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).