ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate

C9H14O5 — CID 13281918

IUPACethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate
SMILESCCOC(=O)CC1(CC=O)OCCO1
InChIInChI=1S/C9H14O5/c1-2-12-8(11)7-9(3-4-10)13-5-6-14-9/h4H,2-3,5-7H2,1H3
InChIKeyOAYOREDZDMUDMH-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.27
Rot. Bonds5

About ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate

ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate (PubChem CID 13281918) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate
PubChem CID13281918
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate
SMILESCCOC(=O)CC1(CC=O)OCCO1
InChIInChI=1S/C9H14O5/c1-2-12-8(11)7-9(3-4-10)13-5-6-14-9/h4H,2-3,5-7H2,1H3
InChIKeyOAYOREDZDMUDMH-UHFFFAOYSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate (CID 13281918) is ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate is CCOC(=O)CC1(CC=O)OCCO1.
What is the InChIKey of ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate?
The InChIKey is OAYOREDZDMUDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-2-12-8(11)7-9(3-4-10)13-5-6-14-9/h4H,2-3,5-7H2,1H3.
What are the key properties of ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate?
ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate has a molecular weight of 202.21 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-oxoethyl)-1,3-dioxolan-2-yl]acetate is sourced from PubChem (CID 13281918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).