2,2,5-trimethyl-3H-furan

C7H12O — CID 14416770

IUPAC2,2,5-trimethyl-3H-furan
SMILESCC1=CCC(C)(C)O1
InChIInChI=1S/C7H12O/c1-6-4-5-7(2,3)8-6/h4H,5H2,1-3H3
InChIKeyOLLPKIZMRLZULO-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.09
Rot. Bonds

About 2,2,5-trimethyl-3H-furan

2,2,5-trimethyl-3H-furan (PubChem CID 14416770) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,2,5-trimethyl-3H-furan.

Molecular Properties

Compound Name2,2,5-trimethyl-3H-furan
PubChem CID14416770
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,2,5-trimethyl-3H-furan
SMILESCC1=CCC(C)(C)O1
InChIInChI=1S/C7H12O/c1-6-4-5-7(2,3)8-6/h4H,5H2,1-3H3
InChIKeyOLLPKIZMRLZULO-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3H-furan?
The IUPAC name of 2,2,5-trimethyl-3H-furan (CID 14416770) is 2,2,5-trimethyl-3H-furan.
What is the SMILES notation for 2,2,5-trimethyl-3H-furan?
The canonical SMILES for 2,2,5-trimethyl-3H-furan is CC1=CCC(C)(C)O1.
What is the InChIKey of 2,2,5-trimethyl-3H-furan?
The InChIKey is OLLPKIZMRLZULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-4-5-7(2,3)8-6/h4H,5H2,1-3H3.
What are the key properties of 2,2,5-trimethyl-3H-furan?
2,2,5-trimethyl-3H-furan has a molecular weight of 112.17 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3H-furan is sourced from PubChem (CID 14416770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).