3-(ethylsulfanylmethyl)oxolane

C7H14OS — CID 130928771

IUPAC3-(ethylsulfanylmethyl)oxolane
SMILESCCSCC1CCOC1
InChIInChI=1S/C7H14OS/c1-2-9-6-7-3-4-8-5-7/h7H,2-6H2,1H3
InChIKeyIREXTODZOQIPCH-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.78
Rot. Bonds3

About 3-(ethylsulfanylmethyl)oxolane

3-(ethylsulfanylmethyl)oxolane (PubChem CID 130928771) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)oxolane
PubChem CID130928771
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-(ethylsulfanylmethyl)oxolane
SMILESCCSCC1CCOC1
InChIInChI=1S/C7H14OS/c1-2-9-6-7-3-4-8-5-7/h7H,2-6H2,1H3
InChIKeyIREXTODZOQIPCH-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyloxolane
CID 10996972
3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
CID 46836222
butane;3-ethyloxolane
CID 143075797
3-prop-2-enyloxolane
CID 22481091
3-(cyclohexylsulfanylmethyl)oxolane
CID 127013309
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
3-(bromomethyl)oxolane
CID 14173422
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
N-(oxolan-3-ylmethyl)-2-propylsulfanylethanamine
CID 62579243
3-(oxolan-3-ylmethyl)pentan-3-ol
CID 14783553
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
ethane;3-(methoxymethyl)oxolane
CID 143285946

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)oxolane?
The IUPAC name of 3-(ethylsulfanylmethyl)oxolane (CID 130928771) is 3-(ethylsulfanylmethyl)oxolane.
What is the SMILES notation for 3-(ethylsulfanylmethyl)oxolane?
The canonical SMILES for 3-(ethylsulfanylmethyl)oxolane is CCSCC1CCOC1.
What is the InChIKey of 3-(ethylsulfanylmethyl)oxolane?
The InChIKey is IREXTODZOQIPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-9-6-7-3-4-8-5-7/h7H,2-6H2,1H3.
What are the key properties of 3-(ethylsulfanylmethyl)oxolane?
3-(ethylsulfanylmethyl)oxolane has a molecular weight of 146.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)oxolane is sourced from PubChem (CID 130928771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).