methyl 2-methyl-3-thiophen-2-ylbutanoate

C10H14O2S — CID 177194529

IUPACmethyl 2-methyl-3-thiophen-2-ylbutanoate
SMILESCOC(=O)C(C)C(C)c1cccs1
InChIInChI=1S/C10H14O2S/c1-7(8(2)10(11)12-3)9-5-4-6-13-9/h4-8H,1-3H3
InChIKeyHBGCZIAHYBMFMM-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-methyl-3-thiophen-2-ylbutanoate

methyl 2-methyl-3-thiophen-2-ylbutanoate (PubChem CID 177194529) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is methyl 2-methyl-3-thiophen-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-thiophen-2-ylbutanoate
PubChem CID177194529
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Namemethyl 2-methyl-3-thiophen-2-ylbutanoate
SMILESCOC(=O)C(C)C(C)c1cccs1
InChIInChI=1S/C10H14O2S/c1-7(8(2)10(11)12-3)9-5-4-6-13-9/h4-8H,1-3H3
InChIKeyHBGCZIAHYBMFMM-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-thiophen-2-ylpropanoate
CID 12819459
methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
methyl 2-bromo-3-(1-thiophen-2-ylethylamino)propanoate
CID 103238683
(1R)-N-methoxy-1-thiophen-2-ylethanamine
CID 124574743
methyl 2-bromo-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 103244670
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
methyl 3-(2-methylphenoxy)-2-thiophen-2-ylpropanoate
CID 117240950
methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
CID 119295504
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-thiophen-2-ylbutanoate?
The IUPAC name of methyl 2-methyl-3-thiophen-2-ylbutanoate (CID 177194529) is methyl 2-methyl-3-thiophen-2-ylbutanoate.
What is the SMILES notation for methyl 2-methyl-3-thiophen-2-ylbutanoate?
The canonical SMILES for methyl 2-methyl-3-thiophen-2-ylbutanoate is COC(=O)C(C)C(C)c1cccs1.
What is the InChIKey of methyl 2-methyl-3-thiophen-2-ylbutanoate?
The InChIKey is HBGCZIAHYBMFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7(8(2)10(11)12-3)9-5-4-6-13-9/h4-8H,1-3H3.
What are the key properties of methyl 2-methyl-3-thiophen-2-ylbutanoate?
methyl 2-methyl-3-thiophen-2-ylbutanoate has a molecular weight of 198.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-thiophen-2-ylbutanoate is sourced from PubChem (CID 177194529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).