2,3,3,4-tetramethylfuran-2-carboxylic acid

C9H14O3 — CID 151125442

IUPAC2,3,3,4-tetramethylfuran-2-carboxylic acid
SMILESCC1=COC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C9H14O3/c1-6-5-12-9(4,7(10)11)8(6,2)3/h5H,1-4H3,(H,10,11)
InChIKeyMTBZNAITARLDSX-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.79
Rot. Bonds1

About 2,3,3,4-tetramethylfuran-2-carboxylic acid

2,3,3,4-tetramethylfuran-2-carboxylic acid (PubChem CID 151125442) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2,3,3,4-tetramethylfuran-2-carboxylic acid.

Molecular Properties

Compound Name2,3,3,4-tetramethylfuran-2-carboxylic acid
PubChem CID151125442
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2,3,3,4-tetramethylfuran-2-carboxylic acid
SMILESCC1=COC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C9H14O3/c1-6-5-12-9(4,7(10)11)8(6,2)3/h5H,1-4H3,(H,10,11)
InChIKeyMTBZNAITARLDSX-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetramethylfuran-2-carboxylic acid?
The IUPAC name of 2,3,3,4-tetramethylfuran-2-carboxylic acid (CID 151125442) is 2,3,3,4-tetramethylfuran-2-carboxylic acid.
What is the SMILES notation for 2,3,3,4-tetramethylfuran-2-carboxylic acid?
The canonical SMILES for 2,3,3,4-tetramethylfuran-2-carboxylic acid is CC1=COC(C)(C(=O)O)C1(C)C.
What is the InChIKey of 2,3,3,4-tetramethylfuran-2-carboxylic acid?
The InChIKey is MTBZNAITARLDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-5-12-9(4,7(10)11)8(6,2)3/h5H,1-4H3,(H,10,11).
What are the key properties of 2,3,3,4-tetramethylfuran-2-carboxylic acid?
2,3,3,4-tetramethylfuran-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethylfuran-2-carboxylic acid is sourced from PubChem (CID 151125442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).