propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate

C13H24O5 — CID 91691695

IUPACpropyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate
SMILESCCCOC(=O)COCC(=O)OCC(CC)CC
InChIInChI=1S/C13H24O5/c1-4-7-17-12(14)9-16-10-13(15)18-8-11(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyXQTRCBWCENFECV-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.94
Rot. Bonds10

About propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate

propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate (PubChem CID 91691695) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate.

Molecular Properties

Compound Namepropyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate
PubChem CID91691695
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Namepropyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate
SMILESCCCOC(=O)COCC(=O)OCC(CC)CC
InChIInChI=1S/C13H24O5/c1-4-7-17-12(14)9-16-10-13(15)18-8-11(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyXQTRCBWCENFECV-UHFFFAOYSA-N
XLogP1.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate?
The IUPAC name of propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate (CID 91691695) is propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate.
What is the SMILES notation for propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate?
The canonical SMILES for propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate is CCCOC(=O)COCC(=O)OCC(CC)CC.
What is the InChIKey of propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate?
The InChIKey is XQTRCBWCENFECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-4-7-17-12(14)9-16-10-13(15)18-8-11(5-2)6-3/h11H,4-10H2,1-3H3.
What are the key properties of propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate?
propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate has a molecular weight of 260.33 g/mol, XLogP of 1.94, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[2-(2-ethylbutoxy)-2-oxoethoxy]acetate is sourced from PubChem (CID 91691695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).