2,3,5-trimethylfuran

C7H10O — CID 517859

IUPAC2,3,5-trimethylfuran
SMILESCc1cc(C)c(C)o1
InChIInChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
InChIKeyNJXZFRUNHWKHEC-UHFFFAOYSA-N
MW110.16 g/mol
LogP2.20
Rot. Bonds

About 2,3,5-trimethylfuran

2,3,5-trimethylfuran (PubChem CID 517859) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2,3,5-trimethylfuran.

Molecular Properties

Compound Name2,3,5-trimethylfuran
PubChem CID517859
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2,3,5-trimethylfuran
SMILESCc1cc(C)c(C)o1
InChIInChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
InChIKeyNJXZFRUNHWKHEC-UHFFFAOYSA-N
XLogP2.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethylfuran?
The IUPAC name of 2,3,5-trimethylfuran (CID 517859) is 2,3,5-trimethylfuran.
What is the SMILES notation for 2,3,5-trimethylfuran?
The canonical SMILES for 2,3,5-trimethylfuran is Cc1cc(C)c(C)o1.
What is the InChIKey of 2,3,5-trimethylfuran?
The InChIKey is NJXZFRUNHWKHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3.
What are the key properties of 2,3,5-trimethylfuran?
2,3,5-trimethylfuran has a molecular weight of 110.16 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethylfuran is sourced from PubChem (CID 517859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).