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

C10H18O2S — CID 71522609

IUPAC3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane
SMILESCC1(CSCC2(C)COC2)COC1
InChIInChI=1S/C10H18O2S/c1-9(3-11-4-9)7-13-8-10(2)5-12-6-10/h3-8H2,1-2H3
InChIKeyQRTVOHGWPVPEPS-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.79
Rot. Bonds4

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

3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane (PubChem CID 71522609) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane
PubChem CID71522609
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane
SMILESCC1(CSCC2(C)COC2)COC1
InChIInChI=1S/C10H18O2S/c1-9(3-11-4-9)7-13-8-10(2)5-12-6-10/h3-8H2,1-2H3
InChIKeyQRTVOHGWPVPEPS-UHFFFAOYSA-N
XLogP1.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.79
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)methylsulfanylmethyl]oxetane?
The IUPAC name of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane (CID 71522609) is 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane.
What is the SMILES notation for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane?
The canonical SMILES for 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane is CC1(CSCC2(C)COC2)COC1.
What is the InChIKey of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane?
The InChIKey is QRTVOHGWPVPEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9(3-11-4-9)7-13-8-10(2)5-12-6-10/h3-8H2,1-2H3.
What are the key properties of 3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane?
3-methyl-3-[(3-methyloxetan-3-yl)methylsulfanylmethyl]oxetane has a molecular weight of 202.32 g/mol, XLogP of 1.79, 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)methylsulfanylmethyl]oxetane is sourced from PubChem (CID 71522609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).