ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate

C11H20O5 — CID 25242000

IUPACethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate
SMILESCCOC(=O)C(O)C1CCOC1OC(C)C
InChIInChI=1S/C11H20O5/c1-4-14-10(13)9(12)8-5-6-15-11(8)16-7(2)3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyHYMFICVSTYUSOC-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.70
Rot. Bonds5

About ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate

ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate (PubChem CID 25242000) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate
PubChem CID25242000
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Nameethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate
SMILESCCOC(=O)C(O)C1CCOC1OC(C)C
InChIInChI=1S/C11H20O5/c1-4-14-10(13)9(12)8-5-6-15-11(8)16-7(2)3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyHYMFICVSTYUSOC-UHFFFAOYSA-N
XLogP0.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate (CID 25242000) is ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate is CCOC(=O)C(O)C1CCOC1OC(C)C.
What is the InChIKey of ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate?
The InChIKey is HYMFICVSTYUSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-4-14-10(13)9(12)8-5-6-15-11(8)16-7(2)3/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate?
ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate has a molecular weight of 232.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-propan-2-yloxyoxolan-3-yl)acetate is sourced from PubChem (CID 25242000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).