3-(1-methylsulfonylethoxy)prop-1-ene

C6H12O3S — CID 18333480

IUPAC3-(1-methylsulfonylethoxy)prop-1-ene
SMILESC=CCOC(C)S(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-4-5-9-6(2)10(3,7)8/h4,6H,1,5H2,2-3H3
InChIKeyZCSVEFMFQVBFCG-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.58
Rot. Bonds4

About 3-(1-methylsulfonylethoxy)prop-1-ene

3-(1-methylsulfonylethoxy)prop-1-ene (PubChem CID 18333480) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-(1-methylsulfonylethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(1-methylsulfonylethoxy)prop-1-ene
PubChem CID18333480
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-(1-methylsulfonylethoxy)prop-1-ene
SMILESC=CCOC(C)S(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-4-5-9-6(2)10(3,7)8/h4,6H,1,5H2,2-3H3
InChIKeyZCSVEFMFQVBFCG-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylethoxy)prop-1-ene?
The IUPAC name of 3-(1-methylsulfonylethoxy)prop-1-ene (CID 18333480) is 3-(1-methylsulfonylethoxy)prop-1-ene.
What is the SMILES notation for 3-(1-methylsulfonylethoxy)prop-1-ene?
The canonical SMILES for 3-(1-methylsulfonylethoxy)prop-1-ene is C=CCOC(C)S(C)(=O)=O.
What is the InChIKey of 3-(1-methylsulfonylethoxy)prop-1-ene?
The InChIKey is ZCSVEFMFQVBFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-4-5-9-6(2)10(3,7)8/h4,6H,1,5H2,2-3H3.
What are the key properties of 3-(1-methylsulfonylethoxy)prop-1-ene?
3-(1-methylsulfonylethoxy)prop-1-ene 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 3-(1-methylsulfonylethoxy)prop-1-ene is sourced from PubChem (CID 18333480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).