3-ethenylsulfonyl-2-methyloxolane

C7H12O3S — CID 107746971

IUPAC3-ethenylsulfonyl-2-methyloxolane
SMILESC=CS(=O)(=O)C1CCOC1C
InChIInChI=1S/C7H12O3S/c1-3-11(8,9)7-4-5-10-6(7)2/h3,6-7H,1,4-5H2,2H3
InChIKeyZSUMQWGRCYEVMB-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.72
Rot. Bonds2

About 3-ethenylsulfonyl-2-methyloxolane

3-ethenylsulfonyl-2-methyloxolane (PubChem CID 107746971) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-ethenylsulfonyl-2-methyloxolane.

Molecular Properties

Compound Name3-ethenylsulfonyl-2-methyloxolane
PubChem CID107746971
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name3-ethenylsulfonyl-2-methyloxolane
SMILESC=CS(=O)(=O)C1CCOC1C
InChIInChI=1S/C7H12O3S/c1-3-11(8,9)7-4-5-10-6(7)2/h3,6-7H,1,4-5H2,2H3
InChIKeyZSUMQWGRCYEVMB-UHFFFAOYSA-N
XLogP0.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonyl-2-methyloxolane?
The IUPAC name of 3-ethenylsulfonyl-2-methyloxolane (CID 107746971) is 3-ethenylsulfonyl-2-methyloxolane.
What is the SMILES notation for 3-ethenylsulfonyl-2-methyloxolane?
The canonical SMILES for 3-ethenylsulfonyl-2-methyloxolane is C=CS(=O)(=O)C1CCOC1C.
What is the InChIKey of 3-ethenylsulfonyl-2-methyloxolane?
The InChIKey is ZSUMQWGRCYEVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3S/c1-3-11(8,9)7-4-5-10-6(7)2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 3-ethenylsulfonyl-2-methyloxolane?
3-ethenylsulfonyl-2-methyloxolane has a molecular weight of 176.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonyl-2-methyloxolane is sourced from PubChem (CID 107746971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).