2-(methylsulfonylmethoxy)-2-propoxypropane

C8H18O4S — CID 129117784

IUPAC2-(methylsulfonylmethoxy)-2-propoxypropane
SMILESCCCOC(C)(C)OCS(C)(=O)=O
InChIInChI=1S/C8H18O4S/c1-5-6-11-8(2,3)12-7-13(4,9)10/h5-7H2,1-4H3
InChIKeyGARSBIACJYJNJJ-UHFFFAOYSA-N
MW210.29 g/mol
LogP1.17
Rot. Bonds6

About 2-(methylsulfonylmethoxy)-2-propoxypropane

2-(methylsulfonylmethoxy)-2-propoxypropane (PubChem CID 129117784) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-(methylsulfonylmethoxy)-2-propoxypropane.

Molecular Properties

Compound Name2-(methylsulfonylmethoxy)-2-propoxypropane
PubChem CID129117784
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name2-(methylsulfonylmethoxy)-2-propoxypropane
SMILESCCCOC(C)(C)OCS(C)(=O)=O
InChIInChI=1S/C8H18O4S/c1-5-6-11-8(2,3)12-7-13(4,9)10/h5-7H2,1-4H3
InChIKeyGARSBIACJYJNJJ-UHFFFAOYSA-N
XLogP1.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethoxy)-2-propoxypropane?
The IUPAC name of 2-(methylsulfonylmethoxy)-2-propoxypropane (CID 129117784) is 2-(methylsulfonylmethoxy)-2-propoxypropane.
What is the SMILES notation for 2-(methylsulfonylmethoxy)-2-propoxypropane?
The canonical SMILES for 2-(methylsulfonylmethoxy)-2-propoxypropane is CCCOC(C)(C)OCS(C)(=O)=O.
What is the InChIKey of 2-(methylsulfonylmethoxy)-2-propoxypropane?
The InChIKey is GARSBIACJYJNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S/c1-5-6-11-8(2,3)12-7-13(4,9)10/h5-7H2,1-4H3.
What are the key properties of 2-(methylsulfonylmethoxy)-2-propoxypropane?
2-(methylsulfonylmethoxy)-2-propoxypropane has a molecular weight of 210.29 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethoxy)-2-propoxypropane is sourced from PubChem (CID 129117784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).