2,2-dimethyl-3H-furan-5-carboxylic acid

C7H10O3 — CID 13252676

IUPAC2,2-dimethyl-3H-furan-5-carboxylic acid
SMILESCC1(C)CC=C(C(=O)O)O1
InChIInChI=1S/C7H10O3/c1-7(2)4-3-5(10-7)6(8)9/h3H,4H2,1-2H3,(H,8,9)
InChIKeyMFOWDTHLOZNBLD-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.15
Rot. Bonds1

About 2,2-dimethyl-3H-furan-5-carboxylic acid

2,2-dimethyl-3H-furan-5-carboxylic acid (PubChem CID 13252676) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2,2-dimethyl-3H-furan-5-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3H-furan-5-carboxylic acid
PubChem CID13252676
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2,2-dimethyl-3H-furan-5-carboxylic acid
SMILESCC1(C)CC=C(C(=O)O)O1
InChIInChI=1S/C7H10O3/c1-7(2)4-3-5(10-7)6(8)9/h3H,4H2,1-2H3,(H,8,9)
InChIKeyMFOWDTHLOZNBLD-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-furan-5-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3H-furan-5-carboxylic acid (CID 13252676) is 2,2-dimethyl-3H-furan-5-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3H-furan-5-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3H-furan-5-carboxylic acid is CC1(C)CC=C(C(=O)O)O1.
What is the InChIKey of 2,2-dimethyl-3H-furan-5-carboxylic acid?
The InChIKey is MFOWDTHLOZNBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-7(2)4-3-5(10-7)6(8)9/h3H,4H2,1-2H3,(H,8,9).
What are the key properties of 2,2-dimethyl-3H-furan-5-carboxylic acid?
2,2-dimethyl-3H-furan-5-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-furan-5-carboxylic acid is sourced from PubChem (CID 13252676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).