3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid

C8H14O4 — CID 11171261

IUPAC3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
SMILESCC1(C)OCC(CCC(=O)O)O1
InChIInChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)3-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyVOIMKESBBFHOSH-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.00
Rot. Bonds3

About 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid

3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid (PubChem CID 11171261) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
PubChem CID11171261
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
SMILESCC1(C)OCC(CCC(=O)O)O1
InChIInChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)3-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyVOIMKESBBFHOSH-UHFFFAOYSA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The IUPAC name of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid (CID 11171261) is 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid.
What is the SMILES notation for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The canonical SMILES for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid is CC1(C)OCC(CCC(=O)O)O1.
What is the InChIKey of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The InChIKey is VOIMKESBBFHOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)3-4-7(9)10/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid has a molecular weight of 174.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid is sourced from PubChem (CID 11171261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).