5-tert-butyl-3-methylfuran-2-carboxylic acid

C10H14O3 — CID 3151895

IUPAC5-tert-butyl-3-methylfuran-2-carboxylic acid
SMILESCc1cc(C(C)(C)C)oc1C(=O)O
InChIInChI=1S/C10H14O3/c1-6-5-7(10(2,3)4)13-8(6)9(11)12/h5H,1-4H3,(H,11,12)
InChIKeyZWQUKLHDVRKODH-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.58
Rot. Bonds1

About 5-tert-butyl-3-methylfuran-2-carboxylic acid

5-tert-butyl-3-methylfuran-2-carboxylic acid (PubChem CID 3151895) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-tert-butyl-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-3-methylfuran-2-carboxylic acid
PubChem CID3151895
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-tert-butyl-3-methylfuran-2-carboxylic acid
SMILESCc1cc(C(C)(C)C)oc1C(=O)O
InChIInChI=1S/C10H14O3/c1-6-5-7(10(2,3)4)13-8(6)9(11)12/h5H,1-4H3,(H,11,12)
InChIKeyZWQUKLHDVRKODH-UHFFFAOYSA-N
XLogP2.58
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-tert-butyl-3-methylfuran-2-carboxylic acid (CID 3151895) is 5-tert-butyl-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-tert-butyl-3-methylfuran-2-carboxylic acid is Cc1cc(C(C)(C)C)oc1C(=O)O.
What is the InChIKey of 5-tert-butyl-3-methylfuran-2-carboxylic acid?
The InChIKey is ZWQUKLHDVRKODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-5-7(10(2,3)4)13-8(6)9(11)12/h5H,1-4H3,(H,11,12).
What are the key properties of 5-tert-butyl-3-methylfuran-2-carboxylic acid?
5-tert-butyl-3-methylfuran-2-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 3151895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).