(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate

C10H16O5 — CID 78876031

IUPAC(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
SMILESCCOC(=O)COC(=O)CC1CCCO1
InChIInChI=1S/C10H16O5/c1-2-13-10(12)7-15-9(11)6-8-4-3-5-14-8/h8H,2-7H2,1H3
InChIKeyHSXVGVIMJOGCMF-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.66
Rot. Bonds5

About (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate

(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate (PubChem CID 78876031) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
PubChem CID78876031
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
SMILESCCOC(=O)COC(=O)CC1CCCO1
InChIInChI=1S/C10H16O5/c1-2-13-10(12)7-15-9(11)6-8-4-3-5-14-8/h8H,2-7H2,1H3
InChIKeyHSXVGVIMJOGCMF-UHFFFAOYSA-N
XLogP0.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(oxepan-2-yl)acetate
CID 14174537
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
hexyl 2-(oxolan-2-yl)acetate
CID 78876080
ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
(4-ethoxy-3,5-dimethylphenyl)methyl 2-[(2S)-oxolan-2-yl]acetate
CID 95197435
2,2,2-trichloroethyl 2-(oxolan-2-yl)acetate
CID 54427849
4-oxopentyl 2-(oxolan-2-yl)acetate
CID 78875192
ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
CID 65166216
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate (CID 78876031) is (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate is CCOC(=O)COC(=O)CC1CCCO1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate?
The InChIKey is HSXVGVIMJOGCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-2-13-10(12)7-15-9(11)6-8-4-3-5-14-8/h8H,2-7H2,1H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate?
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate has a molecular weight of 216.23 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate is sourced from PubChem (CID 78876031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).