methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate

C9H12O3S — CID 14154178

IUPACmethyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(C)c1OC
InChIInChI=1S/C9H12O3S/c1-5-6(2)13-8(7(5)11-3)9(10)12-4/h1-4H3
InChIKeySBNXOPZHUPAETG-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.16
Rot. Bonds2

About methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate

methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate (PubChem CID 14154178) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate
PubChem CID14154178
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Namemethyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)c(C)c1OC
InChIInChI=1S/C9H12O3S/c1-5-6(2)13-8(7(5)11-3)9(10)12-4/h1-4H3
InChIKeySBNXOPZHUPAETG-UHFFFAOYSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate?
The IUPAC name of methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate (CID 14154178) is methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate is COC(=O)c1sc(C)c(C)c1OC.
What is the InChIKey of methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate?
The InChIKey is SBNXOPZHUPAETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-5-6(2)13-8(7(5)11-3)9(10)12-4/h1-4H3.
What are the key properties of methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate?
methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate is sourced from PubChem (CID 14154178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).