ethyl 2-(2-hydroxyoxan-2-yl)acetate

C9H16O4 — CID 11735612

IUPACethyl 2-(2-hydroxyoxan-2-yl)acetate
SMILESCCOC(=O)CC1(O)CCCCO1
InChIInChI=1S/C9H16O4/c1-2-12-8(10)7-9(11)5-3-4-6-13-9/h11H,2-7H2,1H3
InChIKeyOJFFQFDVFZZXPY-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.83
Rot. Bonds3

About ethyl 2-(2-hydroxyoxan-2-yl)acetate

ethyl 2-(2-hydroxyoxan-2-yl)acetate (PubChem CID 11735612) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is ethyl 2-(2-hydroxyoxan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxyoxan-2-yl)acetate
PubChem CID11735612
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nameethyl 2-(2-hydroxyoxan-2-yl)acetate
SMILESCCOC(=O)CC1(O)CCCCO1
InChIInChI=1S/C9H16O4/c1-2-12-8(10)7-9(11)5-3-4-6-13-9/h11H,2-7H2,1H3
InChIKeyOJFFQFDVFZZXPY-UHFFFAOYSA-N
XLogP0.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxyoxan-2-yl)acetate?
The IUPAC name of ethyl 2-(2-hydroxyoxan-2-yl)acetate (CID 11735612) is ethyl 2-(2-hydroxyoxan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxyoxan-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxyoxan-2-yl)acetate is CCOC(=O)CC1(O)CCCCO1.
What is the InChIKey of ethyl 2-(2-hydroxyoxan-2-yl)acetate?
The InChIKey is OJFFQFDVFZZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-12-8(10)7-9(11)5-3-4-6-13-9/h11H,2-7H2,1H3.
What are the key properties of ethyl 2-(2-hydroxyoxan-2-yl)acetate?
ethyl 2-(2-hydroxyoxan-2-yl)acetate has a molecular weight of 188.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxyoxan-2-yl)acetate is sourced from PubChem (CID 11735612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).