4-(2-chloroprop-2-enylsulfonyl)oxane

C8H13ClO3S — CID 130670138

IUPAC4-(2-chloroprop-2-enylsulfonyl)oxane
SMILESC=C(Cl)CS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H13ClO3S/c1-7(9)6-13(10,11)8-2-4-12-5-3-8/h8H,1-6H2
InChIKeyDLDFMSZBFHCNOE-UHFFFAOYSA-N
MW224.71 g/mol
LogP1.33
Rot. Bonds3

About 4-(2-chloroprop-2-enylsulfonyl)oxane

4-(2-chloroprop-2-enylsulfonyl)oxane (PubChem CID 130670138) has the molecular formula C8H13ClO3S and a molecular weight of 224.71 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enylsulfonyl)oxane.

Molecular Properties

Compound Name4-(2-chloroprop-2-enylsulfonyl)oxane
PubChem CID130670138
Molecular FormulaC8H13ClO3S
Molecular Weight224.71 g/mol
Exact Mass224.03
IUPAC Name4-(2-chloroprop-2-enylsulfonyl)oxane
SMILESC=C(Cl)CS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H13ClO3S/c1-7(9)6-13(10,11)8-2-4-12-5-3-8/h8H,1-6H2
InChIKeyDLDFMSZBFHCNOE-UHFFFAOYSA-N
XLogP1.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methylprop-2-enylsulfonyl)oxane
CID 162418091
(S)-2-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 162786691
4-(2-Chloroprop-2-enylsulfanyl)oxane
CID 130735830

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enylsulfonyl)oxane?
The IUPAC name of 4-(2-chloroprop-2-enylsulfonyl)oxane (CID 130670138) is 4-(2-chloroprop-2-enylsulfonyl)oxane.
What is the SMILES notation for 4-(2-chloroprop-2-enylsulfonyl)oxane?
The canonical SMILES for 4-(2-chloroprop-2-enylsulfonyl)oxane is C=C(Cl)CS(=O)(=O)C1CCOCC1.
What is the InChIKey of 4-(2-chloroprop-2-enylsulfonyl)oxane?
The InChIKey is DLDFMSZBFHCNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO3S/c1-7(9)6-13(10,11)8-2-4-12-5-3-8/h8H,1-6H2.
What are the key properties of 4-(2-chloroprop-2-enylsulfonyl)oxane?
4-(2-chloroprop-2-enylsulfonyl)oxane has a molecular weight of 224.71 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enylsulfonyl)oxane is sourced from PubChem (CID 130670138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).