3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane

C30H54O9S3 — CID 158320747

IUPAC3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane
SMILESCC1(CS(=O)(=O)CC2(C)COC2)COC1.CC1(CS(=O)CC2(C)COC2)COC1.CC1(CSCC2(C)COC2)COC1
InChIInChI=1S/C10H18O4S.C10H18O3S.C10H18O2S/c1-9(3-13-4-9)7-15(11,12)8-10(2)5-14-6-10;1-9(3-12-4-9)7-14(11)8-10(2)5-13-6-10;1-9(3-11-4-9)7-13-8-10(2)5-12-6-10/h3-8H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3
InChIKeyGOUWKBBIXDWWGA-UHFFFAOYSA-N
MW654.95 g/mol
LogP3.07
Rot. Bonds12

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

3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane (PubChem CID 158320747) has the molecular formula C30H54O9S3 and a molecular weight of 654.95 g/mol. Its IUPAC name is 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane
PubChem CID158320747
Molecular FormulaC30H54O9S3
Molecular Weight654.95 g/mol
Exact Mass654.29
IUPAC Name3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane
SMILESCC1(CS(=O)(=O)CC2(C)COC2)COC1.CC1(CS(=O)CC2(C)COC2)COC1.CC1(CSCC2(C)COC2)COC1
InChIInChI=1S/C10H18O4S.C10H18O3S.C10H18O2S/c1-9(3-13-4-9)7-15(11,12)8-10(2)5-14-6-10;1-9(3-12-4-9)7-14(11)8-10(2)5-13-6-10;1-9(3-11-4-9)7-13-8-10(2)5-12-6-10/h3-8H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3
InChIKeyGOUWKBBIXDWWGA-UHFFFAOYSA-N
XLogP3.07
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.95
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane?
The IUPAC name of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane (CID 158320747) is 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane.
What is the SMILES notation for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane?
The canonical SMILES for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane is CC1(CS(=O)(=O)CC2(C)COC2)COC1.CC1(CS(=O)CC2(C)COC2)COC1.CC1(CSCC2(C)COC2)COC1.
What is the InChIKey of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane?
The InChIKey is GOUWKBBIXDWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S.C10H18O3S.C10H18O2S/c1-9(3-13-4-9)7-15(11,12)8-10(2)5-14-6-10;1-9(3-12-4-9)7-14(11)8-10(2)5-13-6-10;1-9(3-11-4-9)7-13-8-10(2)5-12-6-10/h3-8H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane?
3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane has a molecular weight of 654.95 g/mol, XLogP of 3.07, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfinylmethyl]oxetane;3-methyl-3-[(3-methyloxetan-3-yl)methylsulfonylmethyl]oxetane is sourced from PubChem (CID 158320747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).