2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate

C7H11O5- — CID 4642129

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
SMILESCC1(C)OCC(C(O)C(=O)[O-])O1
InChIInChI=1S/C7H12O5/c1-7(2)11-3-4(12-7)5(8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/p-1
InChIKeyQJOVXYPGARVTQY-UHFFFAOYSA-M
MW175.16 g/mol
LogP-1.75
Rot. Bonds2

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

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate (PubChem CID 4642129) has the molecular formula C7H11O5- and a molecular weight of 175.16 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
PubChem CID4642129
Molecular FormulaC7H11O5-
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
SMILESCC1(C)OCC(C(O)C(=O)[O-])O1
InChIInChI=1S/C7H12O5/c1-7(2)11-3-4(12-7)5(8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/p-1
InChIKeyQJOVXYPGARVTQY-UHFFFAOYSA-M
XLogP-1.75
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate (CID 4642129) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate is CC1(C)OCC(C(O)C(=O)[O-])O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The InChIKey is QJOVXYPGARVTQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O5/c1-7(2)11-3-4(12-7)5(8)6(9)10/h4-5,8H,3H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate has a molecular weight of 175.16 g/mol, XLogP of -1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate is sourced from PubChem (CID 4642129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).