ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate

C13H24O4 — CID 79307211

IUPACethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCOC(C(C)C)C1
InChIInChI=1S/C13H24O4/c1-5-16-12(14)13(4,15)10-6-7-17-11(8-10)9(2)3/h9-11,15H,5-8H2,1-4H3
InChIKeyAYZVGUAFDWDMTR-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.75
Rot. Bonds4

About ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate

ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate (PubChem CID 79307211) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate
PubChem CID79307211
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nameethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate
SMILESCCOC(=O)C(C)(O)C1CCOC(C(C)C)C1
InChIInChI=1S/C13H24O4/c1-5-16-12(14)13(4,15)10-6-7-17-11(8-10)9(2)3/h9-11,15H,5-8H2,1-4H3
InChIKeyAYZVGUAFDWDMTR-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate (CID 79307211) is ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate is CCOC(=O)C(C)(O)C1CCOC(C(C)C)C1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate?
The InChIKey is AYZVGUAFDWDMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-16-12(14)13(4,15)10-6-7-17-11(8-10)9(2)3/h9-11,15H,5-8H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate?
ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate has a molecular weight of 244.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-propan-2-yloxan-4-yl)propanoate is sourced from PubChem (CID 79307211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).