ethyl 2-(2-ethylsulfanylethoxy)acetate

C8H16O3S — CID 58139832

IUPACethyl 2-(2-ethylsulfanylethoxy)acetate
SMILESCCOC(=O)COCCSCC
InChIInChI=1S/C8H16O3S/c1-3-11-8(9)7-10-5-6-12-4-2/h3-7H2,1-2H3
InChIKeySDKVXWDVKYUDDU-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.32
Rot. Bonds7

About ethyl 2-(2-ethylsulfanylethoxy)acetate

ethyl 2-(2-ethylsulfanylethoxy)acetate (PubChem CID 58139832) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is ethyl 2-(2-ethylsulfanylethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethylsulfanylethoxy)acetate
PubChem CID58139832
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Nameethyl 2-(2-ethylsulfanylethoxy)acetate
SMILESCCOC(=O)COCCSCC
InChIInChI=1S/C8H16O3S/c1-3-11-8(9)7-10-5-6-12-4-2/h3-7H2,1-2H3
InChIKeySDKVXWDVKYUDDU-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 2-(2-ethylsulfanylethoxy)acetate?
The IUPAC name of ethyl 2-(2-ethylsulfanylethoxy)acetate (CID 58139832) is ethyl 2-(2-ethylsulfanylethoxy)acetate.
What is the SMILES notation for ethyl 2-(2-ethylsulfanylethoxy)acetate?
The canonical SMILES for ethyl 2-(2-ethylsulfanylethoxy)acetate is CCOC(=O)COCCSCC.
What is the InChIKey of ethyl 2-(2-ethylsulfanylethoxy)acetate?
The InChIKey is SDKVXWDVKYUDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-3-11-8(9)7-10-5-6-12-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(2-ethylsulfanylethoxy)acetate?
ethyl 2-(2-ethylsulfanylethoxy)acetate has a molecular weight of 192.28 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylsulfanylethoxy)acetate is sourced from PubChem (CID 58139832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).