4-tert-butyl-3-methoxy-2-methylthiophene

C10H16OS — CID 146377000

IUPAC4-tert-butyl-3-methoxy-2-methylthiophene
SMILESCOc1c(C(C)(C)C)csc1C
InChIInChI=1S/C10H16OS/c1-7-9(11-5)8(6-12-7)10(2,3)4/h6H,1-5H3
InChIKeyGVVADKRNEVBEDN-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.36
Rot. Bonds1

About 4-tert-butyl-3-methoxy-2-methylthiophene

4-tert-butyl-3-methoxy-2-methylthiophene (PubChem CID 146377000) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-tert-butyl-3-methoxy-2-methylthiophene.

Molecular Properties

Compound Name4-tert-butyl-3-methoxy-2-methylthiophene
PubChem CID146377000
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name4-tert-butyl-3-methoxy-2-methylthiophene
SMILESCOc1c(C(C)(C)C)csc1C
InChIInChI=1S/C10H16OS/c1-7-9(11-5)8(6-12-7)10(2,3)4/h6H,1-5H3
InChIKeyGVVADKRNEVBEDN-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methoxy-2-methylthiophene?
The IUPAC name of 4-tert-butyl-3-methoxy-2-methylthiophene (CID 146377000) is 4-tert-butyl-3-methoxy-2-methylthiophene.
What is the SMILES notation for 4-tert-butyl-3-methoxy-2-methylthiophene?
The canonical SMILES for 4-tert-butyl-3-methoxy-2-methylthiophene is COc1c(C(C)(C)C)csc1C.
What is the InChIKey of 4-tert-butyl-3-methoxy-2-methylthiophene?
The InChIKey is GVVADKRNEVBEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-7-9(11-5)8(6-12-7)10(2,3)4/h6H,1-5H3.
What are the key properties of 4-tert-butyl-3-methoxy-2-methylthiophene?
4-tert-butyl-3-methoxy-2-methylthiophene has a molecular weight of 184.30 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methoxy-2-methylthiophene is sourced from PubChem (CID 146377000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).