2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one

C11H16O2S — CID 102831119

IUPAC2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one
SMILESCCC(C)(OC)C(=O)c1ccsc1C
InChIInChI=1S/C11H16O2S/c1-5-11(3,13-4)10(12)9-6-7-14-8(9)2/h6-7H,5H2,1-4H3
InChIKeyQGQCCHYNNYCDPU-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.05
Rot. Bonds4

About 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one

2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one (PubChem CID 102831119) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one
PubChem CID102831119
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one
SMILESCCC(C)(OC)C(=O)c1ccsc1C
InChIInChI=1S/C11H16O2S/c1-5-11(3,13-4)10(12)9-6-7-14-8(9)2/h6-7H,5H2,1-4H3
InChIKeyQGQCCHYNNYCDPU-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102839336
2-(ethylamino)-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one
CID 102839400
1-(2-chlorophenyl)-2-methoxy-2-methylbutan-1-one
CID 116746687
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 103433056
2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
bis(2-methylthiophen-3-yl)methanone
CID 101441488
2-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)butan-1-one
CID 116747596
2-methyl-1-(2-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 102830879
3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one
CID 102830655
1-(3-bromo-2,4-dimethoxyphenyl)-2-methoxy-2-methylbutan-1-one
CID 103523137
2-ethoxy-1-(2-methylthiophen-3-yl)butan-1-one
CID 102831100
N-ethyl-N,2-dimethylthiophene-3-carboxamide
CID 68938475

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one (CID 102831119) is 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one is CCC(C)(OC)C(=O)c1ccsc1C.
What is the InChIKey of 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one?
The InChIKey is QGQCCHYNNYCDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-5-11(3,13-4)10(12)9-6-7-14-8(9)2/h6-7H,5H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one?
2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one has a molecular weight of 212.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(2-methylthiophen-3-yl)butan-1-one is sourced from PubChem (CID 102831119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).