2-methyl-3-prop-2-enoxythiophene

C8H10OS — CID 14964444

IUPAC2-methyl-3-prop-2-enoxythiophene
SMILESC=CCOc1ccsc1C
InChIInChI=1S/C8H10OS/c1-3-5-9-8-4-6-10-7(8)2/h3-4,6H,1,5H2,2H3
InChIKeyMDEHBFOYBFEZIQ-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.62
Rot. Bonds3

About 2-methyl-3-prop-2-enoxythiophene

2-methyl-3-prop-2-enoxythiophene (PubChem CID 14964444) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enoxythiophene.

Molecular Properties

Compound Name2-methyl-3-prop-2-enoxythiophene
PubChem CID14964444
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2-methyl-3-prop-2-enoxythiophene
SMILESC=CCOc1ccsc1C
InChIInChI=1S/C8H10OS/c1-3-5-9-8-4-6-10-7(8)2/h3-4,6H,1,5H2,2H3
InChIKeyMDEHBFOYBFEZIQ-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enoxythiophene?
The IUPAC name of 2-methyl-3-prop-2-enoxythiophene (CID 14964444) is 2-methyl-3-prop-2-enoxythiophene.
What is the SMILES notation for 2-methyl-3-prop-2-enoxythiophene?
The canonical SMILES for 2-methyl-3-prop-2-enoxythiophene is C=CCOc1ccsc1C.
What is the InChIKey of 2-methyl-3-prop-2-enoxythiophene?
The InChIKey is MDEHBFOYBFEZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-3-5-9-8-4-6-10-7(8)2/h3-4,6H,1,5H2,2H3.
What are the key properties of 2-methyl-3-prop-2-enoxythiophene?
2-methyl-3-prop-2-enoxythiophene has a molecular weight of 154.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enoxythiophene is sourced from PubChem (CID 14964444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).