4,4-bis(ethylsulfanylmethyl)oxane

C11H22OS2 — CID 154620426

IUPAC4,4-bis(ethylsulfanylmethyl)oxane
SMILESCCSCC1(CSCC)CCOCC1
InChIInChI=1S/C11H22OS2/c1-3-13-9-11(10-14-4-2)5-7-12-8-6-11/h3-10H2,1-2H3
InChIKeyJDFXMSCAWUZAOG-UHFFFAOYSA-N
MW234.43 g/mol
LogP3.29
Rot. Bonds6

About 4,4-bis(ethylsulfanylmethyl)oxane

4,4-bis(ethylsulfanylmethyl)oxane (PubChem CID 154620426) has the molecular formula C11H22OS2 and a molecular weight of 234.43 g/mol. Its IUPAC name is 4,4-bis(ethylsulfanylmethyl)oxane.

Molecular Properties

Compound Name4,4-bis(ethylsulfanylmethyl)oxane
PubChem CID154620426
Molecular FormulaC11H22OS2
Molecular Weight234.43 g/mol
Exact Mass234.11
IUPAC Name4,4-bis(ethylsulfanylmethyl)oxane
SMILESCCSCC1(CSCC)CCOCC1
InChIInChI=1S/C11H22OS2/c1-3-13-9-11(10-14-4-2)5-7-12-8-6-11/h3-10H2,1-2H3
InChIKeyJDFXMSCAWUZAOG-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethylsulfanylmethyl)oxane?
The IUPAC name of 4,4-bis(ethylsulfanylmethyl)oxane (CID 154620426) is 4,4-bis(ethylsulfanylmethyl)oxane.
What is the SMILES notation for 4,4-bis(ethylsulfanylmethyl)oxane?
The canonical SMILES for 4,4-bis(ethylsulfanylmethyl)oxane is CCSCC1(CSCC)CCOCC1.
What is the InChIKey of 4,4-bis(ethylsulfanylmethyl)oxane?
The InChIKey is JDFXMSCAWUZAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS2/c1-3-13-9-11(10-14-4-2)5-7-12-8-6-11/h3-10H2,1-2H3.
What are the key properties of 4,4-bis(ethylsulfanylmethyl)oxane?
4,4-bis(ethylsulfanylmethyl)oxane has a molecular weight of 234.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethylsulfanylmethyl)oxane is sourced from PubChem (CID 154620426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).