2-tert-butyl-5-propylfuran

C11H18O — CID 67150002

IUPAC2-tert-butyl-5-propylfuran
SMILESCCCc1ccc(C(C)(C)C)o1
InChIInChI=1S/C11H18O/c1-5-6-9-7-8-10(12-9)11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyQSVFGTQZYRYWHF-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.53
Rot. Bonds2

About 2-tert-butyl-5-propylfuran

2-tert-butyl-5-propylfuran (PubChem CID 67150002) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-tert-butyl-5-propylfuran.

Molecular Properties

Compound Name2-tert-butyl-5-propylfuran
PubChem CID67150002
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-tert-butyl-5-propylfuran
SMILESCCCc1ccc(C(C)(C)C)o1
InChIInChI=1S/C11H18O/c1-5-6-9-7-8-10(12-9)11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyQSVFGTQZYRYWHF-UHFFFAOYSA-N
XLogP3.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propylfuran?
The IUPAC name of 2-tert-butyl-5-propylfuran (CID 67150002) is 2-tert-butyl-5-propylfuran.
What is the SMILES notation for 2-tert-butyl-5-propylfuran?
The canonical SMILES for 2-tert-butyl-5-propylfuran is CCCc1ccc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-propylfuran?
The InChIKey is QSVFGTQZYRYWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-6-9-7-8-10(12-9)11(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-5-propylfuran?
2-tert-butyl-5-propylfuran has a molecular weight of 166.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propylfuran is sourced from PubChem (CID 67150002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).