2-tert-butyl-5-(ethoxymethyl)furan

C11H18O2 — CID 59332651

IUPAC2-tert-butyl-5-(ethoxymethyl)furan
SMILESCCOCc1ccc(C(C)(C)C)o1
InChIInChI=1S/C11H18O2/c1-5-12-8-9-6-7-10(13-9)11(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyGDXQLLUGULNQGR-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.11
Rot. Bonds3

About 2-tert-butyl-5-(ethoxymethyl)furan

2-tert-butyl-5-(ethoxymethyl)furan (PubChem CID 59332651) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-tert-butyl-5-(ethoxymethyl)furan.

Molecular Properties

Compound Name2-tert-butyl-5-(ethoxymethyl)furan
PubChem CID59332651
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-tert-butyl-5-(ethoxymethyl)furan
SMILESCCOCc1ccc(C(C)(C)C)o1
InChIInChI=1S/C11H18O2/c1-5-12-8-9-6-7-10(13-9)11(2,3)4/h6-7H,5,8H2,1-4H3
InChIKeyGDXQLLUGULNQGR-UHFFFAOYSA-N
XLogP3.11
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(ethoxymethyl)furan?
The IUPAC name of 2-tert-butyl-5-(ethoxymethyl)furan (CID 59332651) is 2-tert-butyl-5-(ethoxymethyl)furan.
What is the SMILES notation for 2-tert-butyl-5-(ethoxymethyl)furan?
The canonical SMILES for 2-tert-butyl-5-(ethoxymethyl)furan is CCOCc1ccc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-(ethoxymethyl)furan?
The InChIKey is GDXQLLUGULNQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-12-8-9-6-7-10(13-9)11(2,3)4/h6-7H,5,8H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(ethoxymethyl)furan?
2-tert-butyl-5-(ethoxymethyl)furan has a molecular weight of 182.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(ethoxymethyl)furan is sourced from PubChem (CID 59332651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).