2-ethylsulfonylethyl 2,2-dimethylbutanoate

C10H20O4S — CID 118346141

IUPAC2-ethylsulfonylethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCS(=O)(=O)CC
InChIInChI=1S/C10H20O4S/c1-5-10(3,4)9(11)14-7-8-15(12,13)6-2/h5-8H2,1-4H3
InChIKeyCWLPGNWQLWTMFP-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.40
Rot. Bonds6

About 2-ethylsulfonylethyl 2,2-dimethylbutanoate

2-ethylsulfonylethyl 2,2-dimethylbutanoate (PubChem CID 118346141) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-ethylsulfonylethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-ethylsulfonylethyl 2,2-dimethylbutanoate
PubChem CID118346141
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name2-ethylsulfonylethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCS(=O)(=O)CC
InChIInChI=1S/C10H20O4S/c1-5-10(3,4)9(11)14-7-8-15(12,13)6-2/h5-8H2,1-4H3
InChIKeyCWLPGNWQLWTMFP-UHFFFAOYSA-N
XLogP1.40
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonylethyl 2,2-dimethylbutanoate
CID 118346136
2-(2,2-dimethylbutanoyloxy)ethanesulfonate
CID 59639215
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
2-sulfamoylethyl 2,2-dimethylbutanoate;N,N,2,2-tetramethylbutanamide
CID 91272094
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
2-[2-(2,2-dimethylbutanoyloxy)ethoxycarbonylamino]ethanesulfonic acid
CID 58836329
3-sulfanylpropyl 2,2-dimethylbutanoate
CID 89322969
tridecyl 2,2-dimethylbutanoate
CID 59651442
2-(2,2-dimethylbutanoyloxy)ethyl-dimethylazanium;methanesulfonate
CID 91442841
iodomethyl 2,2-dimethylbutanoate
CID 14459667

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonylethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-ethylsulfonylethyl 2,2-dimethylbutanoate (CID 118346141) is 2-ethylsulfonylethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-ethylsulfonylethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-ethylsulfonylethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCS(=O)(=O)CC.
What is the InChIKey of 2-ethylsulfonylethyl 2,2-dimethylbutanoate?
The InChIKey is CWLPGNWQLWTMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-5-10(3,4)9(11)14-7-8-15(12,13)6-2/h5-8H2,1-4H3.
What are the key properties of 2-ethylsulfonylethyl 2,2-dimethylbutanoate?
2-ethylsulfonylethyl 2,2-dimethylbutanoate has a molecular weight of 236.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonylethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 118346141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).