methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate

C11H18O7 — CID 69493699

IUPACmethyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate
SMILESCCOC1OC(CC(=O)OC)C(CC(=O)OC)O1
InChIInChI=1S/C11H18O7/c1-4-16-11-17-7(5-9(12)14-2)8(18-11)6-10(13)15-3/h7-8,11H,4-6H2,1-3H3
InChIKeyPGGCMUPJLIZCEG-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.22
Rot. Bonds6

About methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate

methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate (PubChem CID 69493699) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate
PubChem CID69493699
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Namemethyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate
SMILESCCOC1OC(CC(=O)OC)C(CC(=O)OC)O1
InChIInChI=1S/C11H18O7/c1-4-16-11-17-7(5-9(12)14-2)8(18-11)6-10(13)15-3/h7-8,11H,4-6H2,1-3H3
InChIKeyPGGCMUPJLIZCEG-UHFFFAOYSA-N
XLogP0.22
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate (CID 69493699) is methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate is CCOC1OC(CC(=O)OC)C(CC(=O)OC)O1.
What is the InChIKey of methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate?
The InChIKey is PGGCMUPJLIZCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-4-16-11-17-7(5-9(12)14-2)8(18-11)6-10(13)15-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate?
methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate has a molecular weight of 262.26 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethoxy-5-(2-methoxy-2-oxoethyl)-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 69493699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).