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

C8H14O5 — CID 4053441

IUPACmethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)C1COC(C)(C)O1
InChIInChI=1S/C8H14O5/c1-8(2)12-4-5(13-8)6(9)7(10)11-3/h5-6,9H,4H2,1-3H3
InChIKeyJSFASCPVVJBLRD-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.33
Rot. Bonds2

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

methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate (PubChem CID 4053441) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
PubChem CID4053441
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)C1COC(C)(C)O1
InChIInChI=1S/C8H14O5/c1-8(2)12-4-5(13-8)6(9)7(10)11-3/h5-6,9H,4H2,1-3H3
InChIKeyJSFASCPVVJBLRD-UHFFFAOYSA-N
XLogP-0.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate (CID 4053441) is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate is COC(=O)C(O)C1COC(C)(C)O1.
What is the InChIKey of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
The InChIKey is JSFASCPVVJBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-8(2)12-4-5(13-8)6(9)7(10)11-3/h5-6,9H,4H2,1-3H3.
What are the key properties of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate?
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate has a molecular weight of 190.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate is sourced from PubChem (CID 4053441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).