ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate

C11H20O3S — CID 15650163

IUPACethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate
SMILESCCOC(=O)C(C)(C)SC(C)(C)C(C)=O
InChIInChI=1S/C11H20O3S/c1-7-14-9(13)11(5,6)15-10(3,4)8(2)12/h7H2,1-6H3
InChIKeyDAEXNOJQOIJLKE-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.43
Rot. Bonds5

About ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate

ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate (PubChem CID 15650163) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate
PubChem CID15650163
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Nameethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate
SMILESCCOC(=O)C(C)(C)SC(C)(C)C(C)=O
InChIInChI=1S/C11H20O3S/c1-7-14-9(13)11(5,6)15-10(3,4)8(2)12/h7H2,1-6H3
InChIKeyDAEXNOJQOIJLKE-UHFFFAOYSA-N
XLogP2.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethyl (2S)-2-bromo-2-methyl-3-oxobutanoate
CID 101364312
diethyl 2-acetyloxy-2-methylpropanedioate
CID 14271792
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl 2,2-diacetyloxy-3,3-dimethylbutanoate
CID 175506846
ethyl 2-[(2R)-butan-2-yl]sulfanyl-2-methylpropanoate
CID 59267905
ethyl 2-methyl-2-(2-methylpropylsulfanyl)propanoate
CID 116853881
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2,2-dibromo-3-oxobutanoate
CID 11231534
2-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfanylphenyl]acetic acid
CID 82365864
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate?
The IUPAC name of ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate (CID 15650163) is ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate is CCOC(=O)C(C)(C)SC(C)(C)C(C)=O.
What is the InChIKey of ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate?
The InChIKey is DAEXNOJQOIJLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-7-14-9(13)11(5,6)15-10(3,4)8(2)12/h7H2,1-6H3.
What are the key properties of ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate?
ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate has a molecular weight of 232.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate is sourced from PubChem (CID 15650163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).