4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane

C10H18O4S — CID 54026217

IUPAC4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane
SMILESCOC1(CC=CS(C)(=O)=O)CCOCC1
InChIInChI=1S/C10H18O4S/c1-13-10(5-7-14-8-6-10)4-3-9-15(2,11)12/h3,9H,4-8H2,1-2H3
InChIKeyLCJADKBAZUZNMN-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.13
Rot. Bonds4

About 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane

4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane (PubChem CID 54026217) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane.

Molecular Properties

Compound Name4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane
PubChem CID54026217
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane
SMILESCOC1(CC=CS(C)(=O)=O)CCOCC1
InChIInChI=1S/C10H18O4S/c1-13-10(5-7-14-8-6-10)4-3-9-15(2,11)12/h3,9H,4-8H2,1-2H3
InChIKeyLCJADKBAZUZNMN-UHFFFAOYSA-N
XLogP1.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane?
The IUPAC name of 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane (CID 54026217) is 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane.
What is the SMILES notation for 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane?
The canonical SMILES for 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane is COC1(CC=CS(C)(=O)=O)CCOCC1.
What is the InChIKey of 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane?
The InChIKey is LCJADKBAZUZNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-13-10(5-7-14-8-6-10)4-3-9-15(2,11)12/h3,9H,4-8H2,1-2H3.
What are the key properties of 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane?
4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane has a molecular weight of 234.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(3-methylsulfonylprop-2-enyl)oxane is sourced from PubChem (CID 54026217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).