(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate

C6H8O5 — CID 147022523

IUPAC(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate
SMILESCC(=O)OC1(C)COC(=O)O1
InChIInChI=1S/C6H8O5/c1-4(7)10-6(2)3-9-5(8)11-6/h3H2,1-2H3
InChIKeyAVZMIDPTXWYWMF-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.43
Rot. Bonds1

About (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate

(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate (PubChem CID 147022523) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate.

Molecular Properties

Compound Name(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate
PubChem CID147022523
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate
SMILESCC(=O)OC1(C)COC(=O)O1
InChIInChI=1S/C6H8O5/c1-4(7)10-6(2)3-9-5(8)11-6/h3H2,1-2H3
InChIKeyAVZMIDPTXWYWMF-UHFFFAOYSA-N
XLogP0.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate?
The IUPAC name of (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate (CID 147022523) is (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate.
What is the SMILES notation for (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate?
The canonical SMILES for (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate is CC(=O)OC1(C)COC(=O)O1.
What is the InChIKey of (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate?
The InChIKey is AVZMIDPTXWYWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-4(7)10-6(2)3-9-5(8)11-6/h3H2,1-2H3.
What are the key properties of (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate?
(4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate has a molecular weight of 160.12 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxo-1,3-dioxolan-4-yl) acetate is sourced from PubChem (CID 147022523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).