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

C10H18O3S — CID 71519611

IUPAC3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane
SMILESCC1(CS(=O)CC2(C)COC2)COC1
InChIInChI=1S/C10H18O3S/c1-9(3-12-4-9)7-14(11)8-10(2)5-13-6-10/h3-8H2,1-2H3
InChIKeySWJHSMBPLKNKAV-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.81
Rot. Bonds4

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

3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane (PubChem CID 71519611) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane
PubChem CID71519611
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane
SMILESCC1(CS(=O)CC2(C)COC2)COC1
InChIInChI=1S/C10H18O3S/c1-9(3-12-4-9)7-14(11)8-10(2)5-13-6-10/h3-8H2,1-2H3
InChIKeySWJHSMBPLKNKAV-UHFFFAOYSA-N
XLogP0.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane?
The IUPAC name of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane (CID 71519611) is 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane.
What is the SMILES notation for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane?
The canonical SMILES for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane is CC1(CS(=O)CC2(C)COC2)COC1.
What is the InChIKey of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane?
The InChIKey is SWJHSMBPLKNKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-9(3-12-4-9)7-14(11)8-10(2)5-13-6-10/h3-8H2,1-2H3.
What are the key properties of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane?
3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane has a molecular weight of 218.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane is sourced from PubChem (CID 71519611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).