[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate

C13H22O5 — CID 20622143

IUPAC[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC(=O)OC1(C)COC
InChIInChI=1S/C13H22O5/c1-6-12(2,3)11(15)17-9-7-10(14)18-13(9,4)8-16-5/h9H,6-8H2,1-5H3
InChIKeyLIDKKGKCESMRLJ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.69
Rot. Bonds5

About [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate

[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate (PubChem CID 20622143) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate
PubChem CID20622143
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC(=O)OC1(C)COC
InChIInChI=1S/C13H22O5/c1-6-12(2,3)11(15)17-9-7-10(14)18-13(9,4)8-16-5/h9H,6-8H2,1-5H3
InChIKeyLIDKKGKCESMRLJ-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The IUPAC name of [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate (CID 20622143) is [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CC(=O)OC1(C)COC.
What is the InChIKey of [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate?
The InChIKey is LIDKKGKCESMRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-6-12(2,3)11(15)17-9-7-10(14)18-13(9,4)8-16-5/h9H,6-8H2,1-5H3.
What are the key properties of [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate?
[2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate has a molecular weight of 258.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-2-methyl-5-oxooxolan-3-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 20622143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).