2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid

C10H12O5 — CID 117169364

IUPAC2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
SMILESCC1(c2ccco2)OCC(CC(=O)O)O1
InChIInChI=1S/C10H12O5/c1-10(8-3-2-4-13-8)14-6-7(15-10)5-9(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyLVQXJYDPBHEECO-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.34
Rot. Bonds3

About 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid

2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117169364) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
PubChem CID117169364
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
SMILESCC1(c2ccco2)OCC(CC(=O)O)O1
InChIInChI=1S/C10H12O5/c1-10(8-3-2-4-13-8)14-6-7(15-10)5-9(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKeyLVQXJYDPBHEECO-UHFFFAOYSA-N
XLogP1.34
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Furfuryl hexanoate
CID 557222
5-Acetoxymethyl-2-furaldehyde
CID 66349
alpha-Hydroxy-2-furanacetic acid
CID 86860
5-Formyl-2-furancarboxylic Acid
CID 2793719
Furfural propyleneglycol acetal
CID 96461
Methyl 5-(hydroxymethyl) furan-2-carboxylate
CID 12733589
2,5-Bis(hydroxymethyl)furan diacetate
CID 4077187
Acetyl Sumiki's acid
CID 10330015
2,4-Monofurfurylidenesorbitol
CID 97951
5-(Methoxymethyl)furan-2-carboxylic acid
CID 1125227
1,2-Bis(furan-2-yl)ethane-1,2-diol, meso
CID 566338
2-Furanpropanoic acid, beta-hydroxy-, ethyl ester
CID 4738172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid (CID 117169364) is 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid is CC1(c2ccco2)OCC(CC(=O)O)O1.
What is the InChIKey of 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is LVQXJYDPBHEECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-10(8-3-2-4-13-8)14-6-7(15-10)5-9(11)12/h2-4,7H,5-6H2,1H3,(H,11,12).
What are the key properties of 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid?
2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 212.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-methyl-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117169364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).