2-(dimethoxymethyl)-4-ethylthiophene

C9H14O2S — CID 86718424

IUPAC2-(dimethoxymethyl)-4-ethylthiophene
SMILESCCc1csc(C(OC)OC)c1
InChIInChI=1S/C9H14O2S/c1-4-7-5-8(12-6-7)9(10-2)11-3/h5-6,9H,4H2,1-3H3
InChIKeyCFTZDFMXKSCSEI-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.60
Rot. Bonds4

About 2-(dimethoxymethyl)-4-ethylthiophene

2-(dimethoxymethyl)-4-ethylthiophene (PubChem CID 86718424) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-4-ethylthiophene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-4-ethylthiophene
PubChem CID86718424
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name2-(dimethoxymethyl)-4-ethylthiophene
SMILESCCc1csc(C(OC)OC)c1
InChIInChI=1S/C9H14O2S/c1-4-7-5-8(12-6-7)9(10-2)11-3/h5-6,9H,4H2,1-3H3
InChIKeyCFTZDFMXKSCSEI-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-4-ethylthiophene?
The IUPAC name of 2-(dimethoxymethyl)-4-ethylthiophene (CID 86718424) is 2-(dimethoxymethyl)-4-ethylthiophene.
What is the SMILES notation for 2-(dimethoxymethyl)-4-ethylthiophene?
The canonical SMILES for 2-(dimethoxymethyl)-4-ethylthiophene is CCc1csc(C(OC)OC)c1.
What is the InChIKey of 2-(dimethoxymethyl)-4-ethylthiophene?
The InChIKey is CFTZDFMXKSCSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-4-7-5-8(12-6-7)9(10-2)11-3/h5-6,9H,4H2,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-4-ethylthiophene?
2-(dimethoxymethyl)-4-ethylthiophene has a molecular weight of 186.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-4-ethylthiophene is sourced from PubChem (CID 86718424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).