3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane

C10H18O4S — CID 71522687

IUPAC3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane
SMILESCC1(CS(=O)(=O)CC2(C)COC2)COC1
InChIInChI=1S/C10H18O4S/c1-9(3-13-4-9)7-15(11,12)8-10(2)5-14-6-10/h3-8H2,1-2H3
InChIKeyJXEGMEXSGFOWEP-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.47
Rot. Bonds4

About 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane

3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane (PubChem CID 71522687) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane
PubChem CID71522687
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane
SMILESCC1(CS(=O)(=O)CC2(C)COC2)COC1
InChIInChI=1S/C10H18O4S/c1-9(3-13-4-9)7-15(11,12)8-10(2)5-14-6-10/h3-8H2,1-2H3
InChIKeyJXEGMEXSGFOWEP-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane?
The IUPAC name of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane (CID 71522687) is 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane.
What is the SMILES notation for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane?
The canonical SMILES for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane is CC1(CS(=O)(=O)CC2(C)COC2)COC1.
What is the InChIKey of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane?
The InChIKey is JXEGMEXSGFOWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-9(3-13-4-9)7-15(11,12)8-10(2)5-14-6-10/h3-8H2,1-2H3.
What are the key properties of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane?
3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane has a molecular weight of 234.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane is sourced from PubChem (CID 71522687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).