ethyl 2-methyl-2-thiophen-2-ylpropanoate

C10H14O2S — CID 21099804

IUPACethyl 2-methyl-2-thiophen-2-ylpropanoate
SMILESCCOC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C10H14O2S/c1-4-12-9(11)10(2,3)8-6-5-7-13-8/h5-7H,4H2,1-3H3
InChIKeyGBSWEVAPDCNYQK-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.59
Rot. Bonds3

About ethyl 2-methyl-2-thiophen-2-ylpropanoate

ethyl 2-methyl-2-thiophen-2-ylpropanoate (PubChem CID 21099804) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is ethyl 2-methyl-2-thiophen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-thiophen-2-ylpropanoate
PubChem CID21099804
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Nameethyl 2-methyl-2-thiophen-2-ylpropanoate
SMILESCCOC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C10H14O2S/c1-4-12-9(11)10(2,3)8-6-5-7-13-8/h5-7H,4H2,1-3H3
InChIKeyGBSWEVAPDCNYQK-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-2-methyl-3-oxo-2-thiophen-2-ylpropanoate
CID 71319693
ethyl 2-methoxy-2,2-dithiophen-2-ylacetate
CID 54080403
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
CID 78963918
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951
ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylpent-4-enoate
CID 102353729
ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylbut-3-ynoate
CID 72974666
ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
CID 110698415
N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
CID 78962055
4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid
CID 66090723
diethyl 2-(2-methylpropyl)-2-(thiophen-2-ylmethyl)propanedioate
CID 103972795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-thiophen-2-ylpropanoate?
The IUPAC name of ethyl 2-methyl-2-thiophen-2-ylpropanoate (CID 21099804) is ethyl 2-methyl-2-thiophen-2-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-thiophen-2-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-thiophen-2-ylpropanoate is CCOC(=O)C(C)(C)c1cccs1.
What is the InChIKey of ethyl 2-methyl-2-thiophen-2-ylpropanoate?
The InChIKey is GBSWEVAPDCNYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-4-12-9(11)10(2,3)8-6-5-7-13-8/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-thiophen-2-ylpropanoate?
ethyl 2-methyl-2-thiophen-2-ylpropanoate has a molecular weight of 198.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-thiophen-2-ylpropanoate is sourced from PubChem (CID 21099804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).