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

C7H12O — CID 91127662

IUPAC2,3,3-trimethyl-2H-furan
SMILESCC1OC=CC1(C)C
InChIInChI=1S/C7H12O/c1-6-7(2,3)4-5-8-6/h4-6H,1-3H3
InChIKeyDWEWQIUBJUTAOF-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds

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

2,3,3-trimethyl-2H-furan (PubChem CID 91127662) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2,3,3-trimethyl-2H-furan.

Molecular Properties

Compound Name2,3,3-trimethyl-2H-furan
PubChem CID91127662
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2,3,3-trimethyl-2H-furan
SMILESCC1OC=CC1(C)C
InChIInChI=1S/C7H12O/c1-6-7(2,3)4-5-8-6/h4-6H,1-3H3
InChIKeyDWEWQIUBJUTAOF-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,3-trimethyl-2H-furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-2H-furan?
The IUPAC name of 2,3,3-trimethyl-2H-furan (CID 91127662) is 2,3,3-trimethyl-2H-furan.
What is the SMILES notation for 2,3,3-trimethyl-2H-furan?
The canonical SMILES for 2,3,3-trimethyl-2H-furan is CC1OC=CC1(C)C.
What is the InChIKey of 2,3,3-trimethyl-2H-furan?
The InChIKey is DWEWQIUBJUTAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6-7(2,3)4-5-8-6/h4-6H,1-3H3.
What are the key properties of 2,3,3-trimethyl-2H-furan?
2,3,3-trimethyl-2H-furan has a molecular weight of 112.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-2H-furan is sourced from PubChem (CID 91127662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).