ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate

C16H24O2S — CID 3055451

IUPACethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate
SMILESCCOC(=O)C(C)(C)Sc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H24O2S/c1-8-18-15(17)16(6,7)19-14-12(4)10(2)9-11(3)13(14)5/h9H,8H2,1-7H3
InChIKeyDZHOWLUXGOZQPS-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.35
Rot. Bonds4

About ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate

ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate (PubChem CID 3055451) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate
PubChem CID3055451
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Nameethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate
SMILESCCOC(=O)C(C)(C)Sc1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H24O2S/c1-8-18-15(17)16(6,7)19-14-12(4)10(2)9-11(3)13(14)5/h9H,8H2,1-7H3
InChIKeyDZHOWLUXGOZQPS-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2-(2-methylphenyl)sulfanylpropanoate;dihydrate
CID 143618447
ethyl 2-(3,4-difluorophenyl)sulfanyl-2-methylpropanoate
CID 116853899
ethyl 2-(3-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 68832027
ethyl 2-methyl-2-(1H-pyrrol-3-ylsulfanyl)propanoate
CID 116853901
ethyl 2-(5-chlorothiophen-2-yl)sulfanyl-2-methylpropanoate
CID 11715914
2-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)sulfanylphenyl]acetic acid
CID 82365864
2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468602
ethyl 2-methyl-2-(2-methyl-3-oxobutan-2-yl)sulfanylpropanoate
CID 15650163
ethyl 2-[2-(2,4-dichlorophenyl)acetyl]sulfanyl-2-methylpropanoate
CID 142636857
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
ethyl 2,2-difluoro-2-(2,4,5-trimethylphenyl)acetate
CID 64985126
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate?
The IUPAC name of ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate (CID 3055451) is ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate is CCOC(=O)C(C)(C)Sc1c(C)c(C)cc(C)c1C.
What is the InChIKey of ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate?
The InChIKey is DZHOWLUXGOZQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-8-18-15(17)16(6,7)19-14-12(4)10(2)9-11(3)13(14)5/h9H,8H2,1-7H3.
What are the key properties of ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate?
ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate has a molecular weight of 280.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoate is sourced from PubChem (CID 3055451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).