2-thiophen-2-ylethyl 2-methylbutanoate

C11H16O2S — CID 3023726

IUPAC2-thiophen-2-ylethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCc1cccs1
InChIInChI=1S/C11H16O2S/c1-3-9(2)11(12)13-7-6-10-5-4-8-14-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXSDPFNMJFNZEIN-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.88
Rot. Bonds5

About 2-thiophen-2-ylethyl 2-methylbutanoate

2-thiophen-2-ylethyl 2-methylbutanoate (PubChem CID 3023726) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-methylbutanoate
PubChem CID3023726
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-thiophen-2-ylethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCc1cccs1
InChIInChI=1S/C11H16O2S/c1-3-9(2)11(12)13-7-6-10-5-4-8-14-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXSDPFNMJFNZEIN-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl thiophen-2-acetate
CID 88055
Ethyl 2-thienylacetate
CID 93657
Methyl 3-(thiophen-2-yl)propanoate
CID 566367
alpha-Methyl-2-thiopheneacetic acid
CID 3016922
Ethyl 4-(2-thienyl)butanoate
CID 10330368
Icosa-5,8,11,14-tetraenoic acid thiophen-2-ylmethyl ester
CID 10294441
Icosa-5,8,11,14-tetraenoic acid 2-thiophen-3-yl-ethyl ester
CID 11015192
Icosa-5,8,11,14-tetraenoic acid 2-thiophen-2-yl-ethyl ester
CID 11825838
Ethyl 2,2-difluoro-2-(thiophen-2-yl)acetate
CID 10512456
Ethyl 2-(5-methylthiophen-3-yl)acetate
CID 64985223
Ethyl 2-methyl-2-(thiophen-2-yl)propanoate
CID 21099804
[(E,4S)-3-oxo-9-thiophen-2-ylnon-6-en-8-yn-4-yl] 3-methylbutanoate
CID 163186129

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-methylbutanoate?
The IUPAC name of 2-thiophen-2-ylethyl 2-methylbutanoate (CID 3023726) is 2-thiophen-2-ylethyl 2-methylbutanoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-methylbutanoate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-methylbutanoate is CCC(C)C(=O)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-methylbutanoate?
The InChIKey is XSDPFNMJFNZEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-3-9(2)11(12)13-7-6-10-5-4-8-14-10/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 2-thiophen-2-ylethyl 2-methylbutanoate?
2-thiophen-2-ylethyl 2-methylbutanoate has a molecular weight of 212.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-methylbutanoate is sourced from PubChem (CID 3023726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).