1-ethenylsulfonyl-4-ethoxybutane

C8H16O3S — CID 59409435

IUPAC1-ethenylsulfonyl-4-ethoxybutane
SMILESC=CS(=O)(=O)CCCCOCC
InChIInChI=1S/C8H16O3S/c1-3-11-7-5-6-8-12(9,10)4-2/h4H,2-3,5-8H2,1H3
InChIKeyVUWPCVSUKWKQCA-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.36
Rot. Bonds7

About 1-ethenylsulfonyl-4-ethoxybutane

1-ethenylsulfonyl-4-ethoxybutane (PubChem CID 59409435) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-ethenylsulfonyl-4-ethoxybutane.

Molecular Properties

Compound Name1-ethenylsulfonyl-4-ethoxybutane
PubChem CID59409435
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name1-ethenylsulfonyl-4-ethoxybutane
SMILESC=CS(=O)(=O)CCCCOCC
InChIInChI=1S/C8H16O3S/c1-3-11-7-5-6-8-12(9,10)4-2/h4H,2-3,5-8H2,1H3
InChIKeyVUWPCVSUKWKQCA-UHFFFAOYSA-N
XLogP1.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-4-ethoxybutane?
The IUPAC name of 1-ethenylsulfonyl-4-ethoxybutane (CID 59409435) is 1-ethenylsulfonyl-4-ethoxybutane.
What is the SMILES notation for 1-ethenylsulfonyl-4-ethoxybutane?
The canonical SMILES for 1-ethenylsulfonyl-4-ethoxybutane is C=CS(=O)(=O)CCCCOCC.
What is the InChIKey of 1-ethenylsulfonyl-4-ethoxybutane?
The InChIKey is VUWPCVSUKWKQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-3-11-7-5-6-8-12(9,10)4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-ethenylsulfonyl-4-ethoxybutane?
1-ethenylsulfonyl-4-ethoxybutane has a molecular weight of 192.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-4-ethoxybutane is sourced from PubChem (CID 59409435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).