2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid

C13H20O7 — CID 132849738

IUPAC2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)CC1(CC(=O)O)OC(C)(C)OC1=O
InChIInChI=1S/C13H20O7/c1-11(2,3)18-9(16)7-13(6-8(14)15)10(17)19-12(4,5)20-13/h6-7H2,1-5H3,(H,14,15)
InChIKeyOHCLGQGGOHXUOC-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.24
Rot. Bonds4

About 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid

2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid (PubChem CID 132849738) has the molecular formula C13H20O7 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid
PubChem CID132849738
Molecular FormulaC13H20O7
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)CC1(CC(=O)O)OC(C)(C)OC1=O
InChIInChI=1S/C13H20O7/c1-11(2,3)18-9(16)7-13(6-8(14)15)10(17)19-12(4,5)20-13/h6-7H2,1-5H3,(H,14,15)
InChIKeyOHCLGQGGOHXUOC-UHFFFAOYSA-N
XLogP1.24
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid (CID 132849738) is 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid is CC(C)(C)OC(=O)CC1(CC(=O)O)OC(C)(C)OC1=O.
What is the InChIKey of 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is OHCLGQGGOHXUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O7/c1-11(2,3)18-9(16)7-13(6-8(14)15)10(17)19-12(4,5)20-13/h6-7H2,1-5H3,(H,14,15).
What are the key properties of 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid?
2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 132849738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).