3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane

C10H20O2S — CID 70796621

IUPAC3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane
SMILESCCC1(COCCCSC)COC1
InChIInChI=1S/C10H20O2S/c1-3-10(8-12-9-10)7-11-5-4-6-13-2/h3-9H2,1-2H3
InChIKeyJSEIPNZCGQUOOY-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.18
Rot. Bonds7

About 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane

3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane (PubChem CID 70796621) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane
PubChem CID70796621
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane
SMILESCCC1(COCCCSC)COC1
InChIInChI=1S/C10H20O2S/c1-3-10(8-12-9-10)7-11-5-4-6-13-2/h3-9H2,1-2H3
InChIKeyJSEIPNZCGQUOOY-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane (CID 70796621) is 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane is CCC1(COCCCSC)COC1.
What is the InChIKey of 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane?
The InChIKey is JSEIPNZCGQUOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-3-10(8-12-9-10)7-11-5-4-6-13-2/h3-9H2,1-2H3.
What are the key properties of 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane?
3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane has a molecular weight of 204.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(3-methylsulfanylpropoxymethyl)oxetane is sourced from PubChem (CID 70796621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).