methyl prop-2-enyl sulfate

C4H8O4S — CID 22177272

IUPACmethyl prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OC
InChIInChI=1S/C4H8O4S/c1-3-4-8-9(5,6)7-2/h3H,1,4H2,2H3
InChIKeyHYLOCGZRVHORLU-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.08
Rot. Bonds4

About methyl prop-2-enyl sulfate

methyl prop-2-enyl sulfate (PubChem CID 22177272) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is methyl prop-2-enyl sulfate.

Molecular Properties

Compound Namemethyl prop-2-enyl sulfate
PubChem CID22177272
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Namemethyl prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OC
InChIInChI=1S/C4H8O4S/c1-3-4-8-9(5,6)7-2/h3H,1,4H2,2H3
InChIKeyHYLOCGZRVHORLU-UHFFFAOYSA-N
XLogP0.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.08
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 methyl prop-2-enyl sulfate?
The IUPAC name of methyl prop-2-enyl sulfate (CID 22177272) is methyl prop-2-enyl sulfate.
What is the SMILES notation for methyl prop-2-enyl sulfate?
The canonical SMILES for methyl prop-2-enyl sulfate is C=CCOS(=O)(=O)OC.
What is the InChIKey of methyl prop-2-enyl sulfate?
The InChIKey is HYLOCGZRVHORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S/c1-3-4-8-9(5,6)7-2/h3H,1,4H2,2H3.
What are the key properties of methyl prop-2-enyl sulfate?
methyl prop-2-enyl sulfate has a molecular weight of 152.17 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enyl sulfate is sourced from PubChem (CID 22177272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).