ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate

C13H24O4 — CID 79308520

IUPACethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)C1CCOC(C)(CC)C1
InChIInChI=1S/C13H24O4/c1-5-12(3)9-10(7-8-17-12)13(4,15)11(14)16-6-2/h10,15H,5-9H2,1-4H3
InChIKeyMZEDJWUUMNOXKY-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.90
Rot. Bonds4

About ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate

ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate (PubChem CID 79308520) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate
PubChem CID79308520
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nameethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)C1CCOC(C)(CC)C1
InChIInChI=1S/C13H24O4/c1-5-12(3)9-10(7-8-17-12)13(4,15)11(14)16-6-2/h10,15H,5-9H2,1-4H3
InChIKeyMZEDJWUUMNOXKY-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate?
The IUPAC name of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate (CID 79308520) is ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate?
The canonical SMILES for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate is CCOC(=O)C(C)(O)C1CCOC(C)(CC)C1.
What is the InChIKey of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate?
The InChIKey is MZEDJWUUMNOXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-12(3)9-10(7-8-17-12)13(4,15)11(14)16-6-2/h10,15H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate?
ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate has a molecular weight of 244.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxypropanoate is sourced from PubChem (CID 79308520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).