1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane

C12H22O5S2 — CID 19693376

IUPAC1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane
SMILESC=CS(=O)(=O)CCCCOCCCCS(=O)(=O)C=C
InChIInChI=1S/C12H22O5S2/c1-3-18(13,14)11-7-5-9-17-10-6-8-12-19(15,16)4-2/h3-4H,1-2,5-12H2
InChIKeyHZHKWLWULSGGTF-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.68
Rot. Bonds12

About 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane

1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane (PubChem CID 19693376) has the molecular formula C12H22O5S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane.

Molecular Properties

Compound Name1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane
PubChem CID19693376
Molecular FormulaC12H22O5S2
Molecular Weight310.44 g/mol
Exact Mass310.09
IUPAC Name1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane
SMILESC=CS(=O)(=O)CCCCOCCCCS(=O)(=O)C=C
InChIInChI=1S/C12H22O5S2/c1-3-18(13,14)11-7-5-9-17-10-6-8-12-19(15,16)4-2/h3-4H,1-2,5-12H2
InChIKeyHZHKWLWULSGGTF-UHFFFAOYSA-N
XLogP1.68
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-ethenylsulfonylbutoxy)butane?
The IUPAC name of 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane (CID 19693376) is 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane.
What is the SMILES notation for 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane?
The canonical SMILES for 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane is C=CS(=O)(=O)CCCCOCCCCS(=O)(=O)C=C.
What is the InChIKey of 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane?
The InChIKey is HZHKWLWULSGGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5S2/c1-3-18(13,14)11-7-5-9-17-10-6-8-12-19(15,16)4-2/h3-4H,1-2,5-12H2.
What are the key properties of 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane?
1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane has a molecular weight of 310.44 g/mol, XLogP of 1.68, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-4-(4-ethenylsulfonylbutoxy)butane is sourced from PubChem (CID 19693376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).