2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid

C10H14O4 — CID 11148303

IUPAC2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid
SMILESCC(C)(C)C1=CC(=O)OC1CC(=O)O
InChIInChI=1S/C10H14O4/c1-10(2,3)6-4-9(13)14-7(6)5-8(11)12/h4,7H,5H2,1-3H3,(H,11,12)
InChIKeyFRPIWFBMJSEKKY-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.36
Rot. Bonds2

About 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid

2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid (PubChem CID 11148303) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid
PubChem CID11148303
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid
SMILESCC(C)(C)C1=CC(=O)OC1CC(=O)O
InChIInChI=1S/C10H14O4/c1-10(2,3)6-4-9(13)14-7(6)5-8(11)12/h4,7H,5H2,1-3H3,(H,11,12)
InChIKeyFRPIWFBMJSEKKY-UHFFFAOYSA-N
XLogP1.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid?
The IUPAC name of 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid (CID 11148303) is 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid.
What is the SMILES notation for 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid?
The canonical SMILES for 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid is CC(C)(C)C1=CC(=O)OC1CC(=O)O.
What is the InChIKey of 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid?
The InChIKey is FRPIWFBMJSEKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(2,3)6-4-9(13)14-7(6)5-8(11)12/h4,7H,5H2,1-3H3,(H,11,12).
What are the key properties of 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid?
2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid has a molecular weight of 198.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-5-oxo-2H-furan-2-yl)acetic acid is sourced from PubChem (CID 11148303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).