4-methoxy-3,3-dimethyl-2H-thiophene

C7H12OS — CID 144510926

IUPAC4-methoxy-3,3-dimethyl-2H-thiophene
SMILESCOC1=CSCC1(C)C
InChIInChI=1S/C7H12OS/c1-7(2)5-9-4-6(7)8-3/h4H,5H2,1-3H3
InChIKeyWVGORBDHQVAQCF-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.25
Rot. Bonds1

About 4-methoxy-3,3-dimethyl-2H-thiophene

4-methoxy-3,3-dimethyl-2H-thiophene (PubChem CID 144510926) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 4-methoxy-3,3-dimethyl-2H-thiophene.

Molecular Properties

Compound Name4-methoxy-3,3-dimethyl-2H-thiophene
PubChem CID144510926
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name4-methoxy-3,3-dimethyl-2H-thiophene
SMILESCOC1=CSCC1(C)C
InChIInChI=1S/C7H12OS/c1-7(2)5-9-4-6(7)8-3/h4H,5H2,1-3H3
InChIKeyWVGORBDHQVAQCF-UHFFFAOYSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3-dimethyl-2H-thiophene?
The IUPAC name of 4-methoxy-3,3-dimethyl-2H-thiophene (CID 144510926) is 4-methoxy-3,3-dimethyl-2H-thiophene.
What is the SMILES notation for 4-methoxy-3,3-dimethyl-2H-thiophene?
The canonical SMILES for 4-methoxy-3,3-dimethyl-2H-thiophene is COC1=CSCC1(C)C.
What is the InChIKey of 4-methoxy-3,3-dimethyl-2H-thiophene?
The InChIKey is WVGORBDHQVAQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-7(2)5-9-4-6(7)8-3/h4H,5H2,1-3H3.
What are the key properties of 4-methoxy-3,3-dimethyl-2H-thiophene?
4-methoxy-3,3-dimethyl-2H-thiophene has a molecular weight of 144.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3-dimethyl-2H-thiophene is sourced from PubChem (CID 144510926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).