2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid

C13H22O6 — CID 170298487

IUPAC2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C(=O)O)C1OC(C)(C)OC1C1COC(C)(C)O1
InChIInChI=1S/C13H22O6/c1-7(11(14)15)9-10(19-13(4,5)18-9)8-6-16-12(2,3)17-8/h7-10H,6H2,1-5H3,(H,14,15)
InChIKeyFIXKSZVYDRQMAO-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.38
Rot. Bonds3

About 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid

2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid (PubChem CID 170298487) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
PubChem CID170298487
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
SMILESCC(C(=O)O)C1OC(C)(C)OC1C1COC(C)(C)O1
InChIInChI=1S/C13H22O6/c1-7(11(14)15)9-10(19-13(4,5)18-9)8-6-16-12(2,3)17-8/h7-10H,6H2,1-5H3,(H,14,15)
InChIKeyFIXKSZVYDRQMAO-UHFFFAOYSA-N
XLogP1.38
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The IUPAC name of 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid (CID 170298487) is 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid.
What is the SMILES notation for 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The canonical SMILES for 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid is CC(C(=O)O)C1OC(C)(C)OC1C1COC(C)(C)O1.
What is the InChIKey of 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
The InChIKey is FIXKSZVYDRQMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-7(11(14)15)9-10(19-13(4,5)18-9)8-6-16-12(2,3)17-8/h7-10H,6H2,1-5H3,(H,14,15).
What are the key properties of 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid?
2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid has a molecular weight of 274.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid is sourced from PubChem (CID 170298487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).