2-(2,2-dimethoxyethyl)-3-methylthiophene

C9H14O2S — CID 21051463

IUPAC2-(2,2-dimethoxyethyl)-3-methylthiophene
SMILESCOC(Cc1sccc1C)OC
InChIInChI=1S/C9H14O2S/c1-7-4-5-12-8(7)6-9(10-2)11-3/h4-5,9H,6H2,1-3H3
InChIKeyRMSKSVFHNXTNON-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.22
Rot. Bonds4

About 2-(2,2-dimethoxyethyl)-3-methylthiophene

2-(2,2-dimethoxyethyl)-3-methylthiophene (PubChem CID 21051463) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethyl)-3-methylthiophene.

Molecular Properties

Compound Name2-(2,2-dimethoxyethyl)-3-methylthiophene
PubChem CID21051463
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name2-(2,2-dimethoxyethyl)-3-methylthiophene
SMILESCOC(Cc1sccc1C)OC
InChIInChI=1S/C9H14O2S/c1-7-4-5-12-8(7)6-9(10-2)11-3/h4-5,9H,6H2,1-3H3
InChIKeyRMSKSVFHNXTNON-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2-dimethoxyethyl)-3-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethyl)-3-methylthiophene?
The IUPAC name of 2-(2,2-dimethoxyethyl)-3-methylthiophene (CID 21051463) is 2-(2,2-dimethoxyethyl)-3-methylthiophene.
What is the SMILES notation for 2-(2,2-dimethoxyethyl)-3-methylthiophene?
The canonical SMILES for 2-(2,2-dimethoxyethyl)-3-methylthiophene is COC(Cc1sccc1C)OC.
What is the InChIKey of 2-(2,2-dimethoxyethyl)-3-methylthiophene?
The InChIKey is RMSKSVFHNXTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-7-4-5-12-8(7)6-9(10-2)11-3/h4-5,9H,6H2,1-3H3.
What are the key properties of 2-(2,2-dimethoxyethyl)-3-methylthiophene?
2-(2,2-dimethoxyethyl)-3-methylthiophene has a molecular weight of 186.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethyl)-3-methylthiophene is sourced from PubChem (CID 21051463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).