ethyl prop-2-enyl sulfate

C5H10O4S — CID 18317156

IUPACethyl prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OCC
InChIInChI=1S/C5H10O4S/c1-3-5-9-10(6,7)8-4-2/h3H,1,4-5H2,2H3
InChIKeyDZKIVJZCGAQACR-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.47
Rot. Bonds5

About ethyl prop-2-enyl sulfate

ethyl prop-2-enyl sulfate (PubChem CID 18317156) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is ethyl prop-2-enyl sulfate.

Molecular Properties

Compound Nameethyl prop-2-enyl sulfate
PubChem CID18317156
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Nameethyl prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OCC
InChIInChI=1S/C5H10O4S/c1-3-5-9-10(6,7)8-4-2/h3H,1,4-5H2,2H3
InChIKeyDZKIVJZCGAQACR-UHFFFAOYSA-N
XLogP0.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl prop-2-enyl sulfate?
The IUPAC name of ethyl prop-2-enyl sulfate (CID 18317156) is ethyl prop-2-enyl sulfate.
What is the SMILES notation for ethyl prop-2-enyl sulfate?
The canonical SMILES for ethyl prop-2-enyl sulfate is C=CCOS(=O)(=O)OCC.
What is the InChIKey of ethyl prop-2-enyl sulfate?
The InChIKey is DZKIVJZCGAQACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-3-5-9-10(6,7)8-4-2/h3H,1,4-5H2,2H3.
What are the key properties of ethyl prop-2-enyl sulfate?
ethyl prop-2-enyl sulfate has a molecular weight of 166.20 g/mol, XLogP of 0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enyl sulfate is sourced from PubChem (CID 18317156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).