methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate

C8H14O4S — CID 134310308

IUPACmethyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate
SMILESCCC1OC(O)C(CC(=O)OC)S1
InChIInChI=1S/C8H14O4S/c1-3-7-12-8(10)5(13-7)4-6(9)11-2/h5,7-8,10H,3-4H2,1-2H3
InChIKeyXRZBPVKEHAZGSH-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.74
Rot. Bonds3

About methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate

methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate (PubChem CID 134310308) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate
PubChem CID134310308
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Namemethyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate
SMILESCCC1OC(O)C(CC(=O)OC)S1
InChIInChI=1S/C8H14O4S/c1-3-7-12-8(10)5(13-7)4-6(9)11-2/h5,7-8,10H,3-4H2,1-2H3
InChIKeyXRZBPVKEHAZGSH-UHFFFAOYSA-N
XLogP0.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate?
The IUPAC name of methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate (CID 134310308) is methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate?
The canonical SMILES for methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate is CCC1OC(O)C(CC(=O)OC)S1.
What is the InChIKey of methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate?
The InChIKey is XRZBPVKEHAZGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-3-7-12-8(10)5(13-7)4-6(9)11-2/h5,7-8,10H,3-4H2,1-2H3.
What are the key properties of methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate?
methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate has a molecular weight of 206.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-5-hydroxy-1,3-oxathiolan-4-yl)acetate is sourced from PubChem (CID 134310308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).