2-ethenoxy-1-methylsulfonylpropane

C6H12O3S — CID 156673776

IUPAC2-ethenoxy-1-methylsulfonylpropane
SMILESC=COC(C)CS(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-4-9-6(2)5-10(3,7)8/h4,6H,1,5H2,2-3H3
InChIKeyHNBIJBPEGDOYSZ-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.58
Rot. Bonds4

About 2-ethenoxy-1-methylsulfonylpropane

2-ethenoxy-1-methylsulfonylpropane (PubChem CID 156673776) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-ethenoxy-1-methylsulfonylpropane.

Molecular Properties

Compound Name2-ethenoxy-1-methylsulfonylpropane
PubChem CID156673776
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-ethenoxy-1-methylsulfonylpropane
SMILESC=COC(C)CS(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-4-9-6(2)5-10(3,7)8/h4,6H,1,5H2,2-3H3
InChIKeyHNBIJBPEGDOYSZ-UHFFFAOYSA-N
XLogP0.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Ethenesulfonyl)-2-methoxyethane
CID 59651482
1-Ethenylsulfonylpropan-2-ol
CID 19808252
2-(Ethenylsulfonylmethyl)oxirane
CID 20295713
1-Ethylsulfonyl-2-methoxyethene
CID 57310650
1-Ethenylsulfonyl-3-ethoxypropane
CID 57529375
1-(2-Ethenylsulfonylethoxy)propane
CID 58785858
1-Ethenylsulfonyl-3-methoxypropane
CID 63857366
2,3-Dihydro-1,4-oxathiine 4,4-dioxide;methane
CID 70189721
2-Methoxy-1-methylsulfonylbutane
CID 89146656
1-Ethenoxy-3-methylsulfonylpropane
CID 118629986
2-(2-Ethenylsulfonylethoxy)propane
CID 121263534
1,5-Bis(ethenylsulfonyl)-3-methoxypentane
CID 130227085

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1-methylsulfonylpropane?
The IUPAC name of 2-ethenoxy-1-methylsulfonylpropane (CID 156673776) is 2-ethenoxy-1-methylsulfonylpropane.
What is the SMILES notation for 2-ethenoxy-1-methylsulfonylpropane?
The canonical SMILES for 2-ethenoxy-1-methylsulfonylpropane is C=COC(C)CS(C)(=O)=O.
What is the InChIKey of 2-ethenoxy-1-methylsulfonylpropane?
The InChIKey is HNBIJBPEGDOYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-4-9-6(2)5-10(3,7)8/h4,6H,1,5H2,2-3H3.
What are the key properties of 2-ethenoxy-1-methylsulfonylpropane?
2-ethenoxy-1-methylsulfonylpropane has a molecular weight of 164.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1-methylsulfonylpropane is sourced from PubChem (CID 156673776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).