4-tert-butyl-2-(methoxymethyl)thiophene

C10H16OS — CID 59332632

IUPAC4-tert-butyl-2-(methoxymethyl)thiophene
SMILESCOCc1cc(C(C)(C)C)cs1
InChIInChI=1S/C10H16OS/c1-10(2,3)8-5-9(6-11-4)12-7-8/h5,7H,6H2,1-4H3
InChIKeyOEXNSKUXGDIEAY-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.19
Rot. Bonds2

About 4-tert-butyl-2-(methoxymethyl)thiophene

4-tert-butyl-2-(methoxymethyl)thiophene (PubChem CID 59332632) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-tert-butyl-2-(methoxymethyl)thiophene.

Molecular Properties

Compound Name4-tert-butyl-2-(methoxymethyl)thiophene
PubChem CID59332632
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name4-tert-butyl-2-(methoxymethyl)thiophene
SMILESCOCc1cc(C(C)(C)C)cs1
InChIInChI=1S/C10H16OS/c1-10(2,3)8-5-9(6-11-4)12-7-8/h5,7H,6H2,1-4H3
InChIKeyOEXNSKUXGDIEAY-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(methoxymethyl)thiophene?
The IUPAC name of 4-tert-butyl-2-(methoxymethyl)thiophene (CID 59332632) is 4-tert-butyl-2-(methoxymethyl)thiophene.
What is the SMILES notation for 4-tert-butyl-2-(methoxymethyl)thiophene?
The canonical SMILES for 4-tert-butyl-2-(methoxymethyl)thiophene is COCc1cc(C(C)(C)C)cs1.
What is the InChIKey of 4-tert-butyl-2-(methoxymethyl)thiophene?
The InChIKey is OEXNSKUXGDIEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-10(2,3)8-5-9(6-11-4)12-7-8/h5,7H,6H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(methoxymethyl)thiophene?
4-tert-butyl-2-(methoxymethyl)thiophene has a molecular weight of 184.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(methoxymethyl)thiophene is sourced from PubChem (CID 59332632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).