propyl 2-methylsulfonyloxyprop-2-enoate

C7H12O5S — CID 150194952

IUPACpropyl 2-methylsulfonyloxyprop-2-enoate
SMILESC=C(OS(C)(=O)=O)C(=O)OCCC
InChIInChI=1S/C7H12O5S/c1-4-5-11-7(8)6(2)12-13(3,9)10/h2,4-5H2,1,3H3
InChIKeyFOGFCHOHRFJZAF-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.43
Rot. Bonds5

About propyl 2-methylsulfonyloxyprop-2-enoate

propyl 2-methylsulfonyloxyprop-2-enoate (PubChem CID 150194952) has the molecular formula C7H12O5S and a molecular weight of 208.23 g/mol. Its IUPAC name is propyl 2-methylsulfonyloxyprop-2-enoate.

Molecular Properties

Compound Namepropyl 2-methylsulfonyloxyprop-2-enoate
PubChem CID150194952
Molecular FormulaC7H12O5S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Namepropyl 2-methylsulfonyloxyprop-2-enoate
SMILESC=C(OS(C)(=O)=O)C(=O)OCCC
InChIInChI=1S/C7H12O5S/c1-4-5-11-7(8)6(2)12-13(3,9)10/h2,4-5H2,1,3H3
InChIKeyFOGFCHOHRFJZAF-UHFFFAOYSA-N
XLogP0.43
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 2-methylsulfonyloxyprop-2-enoate?
The IUPAC name of propyl 2-methylsulfonyloxyprop-2-enoate (CID 150194952) is propyl 2-methylsulfonyloxyprop-2-enoate.
What is the SMILES notation for propyl 2-methylsulfonyloxyprop-2-enoate?
The canonical SMILES for propyl 2-methylsulfonyloxyprop-2-enoate is C=C(OS(C)(=O)=O)C(=O)OCCC.
What is the InChIKey of propyl 2-methylsulfonyloxyprop-2-enoate?
The InChIKey is FOGFCHOHRFJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S/c1-4-5-11-7(8)6(2)12-13(3,9)10/h2,4-5H2,1,3H3.
What are the key properties of propyl 2-methylsulfonyloxyprop-2-enoate?
propyl 2-methylsulfonyloxyprop-2-enoate has a molecular weight of 208.23 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methylsulfonyloxyprop-2-enoate is sourced from PubChem (CID 150194952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).