2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane

C17H24O2S — CID 162351956

IUPAC2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane
SMILESCC1(OC2CCCCO2)CC(CSc2ccccc2)C1
InChIInChI=1S/C17H24O2S/c1-17(19-16-9-5-6-10-18-16)11-14(12-17)13-20-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyGOIXWRDUWGHQCN-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.49
Rot. Bonds5

About 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane

2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane (PubChem CID 162351956) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane.

Molecular Properties

Compound Name2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane
PubChem CID162351956
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane
SMILESCC1(OC2CCCCO2)CC(CSc2ccccc2)C1
InChIInChI=1S/C17H24O2S/c1-17(19-16-9-5-6-10-18-16)11-14(12-17)13-20-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeyGOIXWRDUWGHQCN-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane?
The IUPAC name of 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane (CID 162351956) is 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane.
What is the SMILES notation for 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane?
The canonical SMILES for 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane is CC1(OC2CCCCO2)CC(CSc2ccccc2)C1.
What is the InChIKey of 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane?
The InChIKey is GOIXWRDUWGHQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-17(19-16-9-5-6-10-18-16)11-14(12-17)13-20-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3.
What are the key properties of 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane?
2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane has a molecular weight of 292.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(phenylsulfanylmethyl)cyclobutyl]oxyoxane is sourced from PubChem (CID 162351956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).