ethyl 2-hydroxy-2-(oxolan-3-yl)acetate

C8H14O4 — CID 15415399

IUPACethyl 2-hydroxy-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)C(O)C1CCOC1
InChIInChI=1S/C8H14O4/c1-2-12-8(10)7(9)6-3-4-11-5-6/h6-7,9H,2-5H2,1H3
InChIKeyZLHNHDYYRVHBSP-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.05
Rot. Bonds3

About ethyl 2-hydroxy-2-(oxolan-3-yl)acetate

ethyl 2-hydroxy-2-(oxolan-3-yl)acetate (PubChem CID 15415399) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(oxolan-3-yl)acetate
PubChem CID15415399
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameethyl 2-hydroxy-2-(oxolan-3-yl)acetate
SMILESCCOC(=O)C(O)C1CCOC1
InChIInChI=1S/C8H14O4/c1-2-12-8(10)7(9)6-3-4-11-5-6/h6-7,9H,2-5H2,1H3
InChIKeyZLHNHDYYRVHBSP-UHFFFAOYSA-N
XLogP-0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.05
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-(oxolan-3-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(oxolan-3-yl)acetate (CID 15415399) is ethyl 2-hydroxy-2-(oxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(oxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(oxolan-3-yl)acetate is CCOC(=O)C(O)C1CCOC1.
What is the InChIKey of ethyl 2-hydroxy-2-(oxolan-3-yl)acetate?
The InChIKey is ZLHNHDYYRVHBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-2-12-8(10)7(9)6-3-4-11-5-6/h6-7,9H,2-5H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-(oxolan-3-yl)acetate?
ethyl 2-hydroxy-2-(oxolan-3-yl)acetate has a molecular weight of 174.20 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 15415399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).