2-(1,1-dimethoxyethyl)thiophene

C8H12O2S — CID 11446598

IUPAC2-(1,1-dimethoxyethyl)thiophene
SMILESCOC(C)(OC)c1cccs1
InChIInChI=1S/C8H12O2S/c1-8(9-2,10-3)7-5-4-6-11-7/h4-6H,1-3H3
InChIKeyLNNWJTUVSCKREY-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.21
Rot. Bonds3

About 2-(1,1-dimethoxyethyl)thiophene

2-(1,1-dimethoxyethyl)thiophene (PubChem CID 11446598) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(1,1-dimethoxyethyl)thiophene.

Molecular Properties

Compound Name2-(1,1-dimethoxyethyl)thiophene
PubChem CID11446598
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name2-(1,1-dimethoxyethyl)thiophene
SMILESCOC(C)(OC)c1cccs1
InChIInChI=1S/C8H12O2S/c1-8(9-2,10-3)7-5-4-6-11-7/h4-6H,1-3H3
InChIKeyLNNWJTUVSCKREY-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.21
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-(1,1-dimethoxyethyl)thiophene?
The IUPAC name of 2-(1,1-dimethoxyethyl)thiophene (CID 11446598) is 2-(1,1-dimethoxyethyl)thiophene.
What is the SMILES notation for 2-(1,1-dimethoxyethyl)thiophene?
The canonical SMILES for 2-(1,1-dimethoxyethyl)thiophene is COC(C)(OC)c1cccs1.
What is the InChIKey of 2-(1,1-dimethoxyethyl)thiophene?
The InChIKey is LNNWJTUVSCKREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-8(9-2,10-3)7-5-4-6-11-7/h4-6H,1-3H3.
What are the key properties of 2-(1,1-dimethoxyethyl)thiophene?
2-(1,1-dimethoxyethyl)thiophene has a molecular weight of 172.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethoxyethyl)thiophene is sourced from PubChem (CID 11446598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).