ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate

C11H20O4S — CID 107753074

IUPACethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
SMILESCCOC(=O)C(C)CS(=O)C1CCOC1C
InChIInChI=1S/C11H20O4S/c1-4-14-11(12)8(2)7-16(13)10-5-6-15-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeyDSGDYLVUIHMCGB-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.11
Rot. Bonds5

About ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate

ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate (PubChem CID 107753074) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
PubChem CID107753074
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Nameethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
SMILESCCOC(=O)C(C)CS(=O)C1CCOC1C
InChIInChI=1S/C11H20O4S/c1-4-14-11(12)8(2)7-16(13)10-5-6-15-9(10)3/h8-10H,4-7H2,1-3H3
InChIKeyDSGDYLVUIHMCGB-UHFFFAOYSA-N
XLogP1.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753081
4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758395
2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid
CID 107753126
N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine
CID 107758464
3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
CID 107764349
3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
CID 58684813
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229
N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine
CID 107758454
2-(2-methyloxolan-3-yl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 107764219
ethyl 2-(2-methyloxolan-3-yl)acetate
CID 118541290
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate?
The IUPAC name of ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate (CID 107753074) is ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate.
What is the SMILES notation for ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate?
The canonical SMILES for ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate is CCOC(=O)C(C)CS(=O)C1CCOC1C.
What is the InChIKey of ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate?
The InChIKey is DSGDYLVUIHMCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-4-14-11(12)8(2)7-16(13)10-5-6-15-9(10)3/h8-10H,4-7H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate?
ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate has a molecular weight of 248.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate is sourced from PubChem (CID 107753074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).