2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene

C12H20O2S — CID 90399412

IUPAC2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene
SMILESCOCCOCC(C)(C)c1ccc(C)s1
InChIInChI=1S/C12H20O2S/c1-10-5-6-11(15-10)12(2,3)9-14-8-7-13-4/h5-6H,7-9H2,1-4H3
InChIKeyJCENUFLHHVTLJR-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.00
Rot. Bonds6

About 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene

2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene (PubChem CID 90399412) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene.

Molecular Properties

Compound Name2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene
PubChem CID90399412
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene
SMILESCOCCOCC(C)(C)c1ccc(C)s1
InChIInChI=1S/C12H20O2S/c1-10-5-6-11(15-10)12(2,3)9-14-8-7-13-4/h5-6H,7-9H2,1-4H3
InChIKeyJCENUFLHHVTLJR-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene?
The IUPAC name of 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene (CID 90399412) is 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene.
What is the SMILES notation for 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene?
The canonical SMILES for 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene is COCCOCC(C)(C)c1ccc(C)s1.
What is the InChIKey of 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene?
The InChIKey is JCENUFLHHVTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-10-5-6-11(15-10)12(2,3)9-14-8-7-13-4/h5-6H,7-9H2,1-4H3.
What are the key properties of 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene?
2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene has a molecular weight of 228.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-5-methylthiophene is sourced from PubChem (CID 90399412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).