prop-2-enoxysulfonyl prop-2-enyl sulfate

C6H10O7S2 — CID 88727290

IUPACprop-2-enoxysulfonyl prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OS(=O)(=O)OCC=C
InChIInChI=1S/C6H10O7S2/c1-3-5-11-14(7,8)13-15(9,10)12-6-4-2/h3-4H,1-2,5-6H2
InChIKeyFLMVLGCYBSPSOU-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.10
Rot. Bonds8

About prop-2-enoxysulfonyl prop-2-enyl sulfate

prop-2-enoxysulfonyl prop-2-enyl sulfate (PubChem CID 88727290) has the molecular formula C6H10O7S2 and a molecular weight of 258.27 g/mol. Its IUPAC name is prop-2-enoxysulfonyl prop-2-enyl sulfate.

Molecular Properties

Compound Nameprop-2-enoxysulfonyl prop-2-enyl sulfate
PubChem CID88727290
Molecular FormulaC6H10O7S2
Molecular Weight258.27 g/mol
Exact Mass257.99
IUPAC Nameprop-2-enoxysulfonyl prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OS(=O)(=O)OCC=C
InChIInChI=1S/C6H10O7S2/c1-3-5-11-14(7,8)13-15(9,10)12-6-4-2/h3-4H,1-2,5-6H2
InChIKeyFLMVLGCYBSPSOU-UHFFFAOYSA-N
XLogP-0.10
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxysulfonyl prop-2-enyl sulfate?
The IUPAC name of prop-2-enoxysulfonyl prop-2-enyl sulfate (CID 88727290) is prop-2-enoxysulfonyl prop-2-enyl sulfate.
What is the SMILES notation for prop-2-enoxysulfonyl prop-2-enyl sulfate?
The canonical SMILES for prop-2-enoxysulfonyl prop-2-enyl sulfate is C=CCOS(=O)(=O)OS(=O)(=O)OCC=C.
What is the InChIKey of prop-2-enoxysulfonyl prop-2-enyl sulfate?
The InChIKey is FLMVLGCYBSPSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7S2/c1-3-5-11-14(7,8)13-15(9,10)12-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of prop-2-enoxysulfonyl prop-2-enyl sulfate?
prop-2-enoxysulfonyl prop-2-enyl sulfate has a molecular weight of 258.27 g/mol, XLogP of -0.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxysulfonyl prop-2-enyl sulfate is sourced from PubChem (CID 88727290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).