2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane

C11H20O3S — CID 146650975

IUPAC2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
SMILESCSOCC1(OC2CCCCO2)CCC1
InChIInChI=1S/C11H20O3S/c1-15-13-9-11(6-4-7-11)14-10-5-2-3-8-12-10/h10H,2-9H2,1H3
InChIKeyJVCZSAWNWLMWOL-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.75
Rot. Bonds5

About 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane

2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane (PubChem CID 146650975) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane.

Molecular Properties

Compound Name2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
PubChem CID146650975
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
SMILESCSOCC1(OC2CCCCO2)CCC1
InChIInChI=1S/C11H20O3S/c1-15-13-9-11(6-4-7-11)14-10-5-2-3-8-12-10/h10H,2-9H2,1H3
InChIKeyJVCZSAWNWLMWOL-UHFFFAOYSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 23339569
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
2-[4-(oxan-2-yloxy)oxan-4-yl]ethanamine
CID 23339591
1-(oxan-2-yloxymethyl)cyclobutan-1-ol
CID 175776398
2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine
CID 23339573
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
tert-butyl 1-(oxan-2-yloxymethyl)cyclopropane-1-carboxylate
CID 143065428
3-fluoro-4-iodo-2-[[1-(oxan-2-yloxy)cyclopropyl]methoxy]pyridine
CID 162684656
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 70625745
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
(2R)-2-[[1-(iodomethyl)cyclopropyl]methoxy]oxane
CID 125486239

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane?
The IUPAC name of 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane (CID 146650975) is 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane.
What is the SMILES notation for 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane?
The canonical SMILES for 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane is CSOCC1(OC2CCCCO2)CCC1.
What is the InChIKey of 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane?
The InChIKey is JVCZSAWNWLMWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-15-13-9-11(6-4-7-11)14-10-5-2-3-8-12-10/h10H,2-9H2,1H3.
What are the key properties of 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane?
2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane has a molecular weight of 232.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane is sourced from PubChem (CID 146650975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).