methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate

C10H16O5 — CID 13220198

IUPACmethyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate
SMILESCOC(=O)CC1CCC(CC(=O)OC)O1
InChIInChI=1S/C10H16O5/c1-13-9(11)5-7-3-4-8(15-7)6-10(12)14-2/h7-8H,3-6H2,1-2H3
InChIKeyOLUGMZBFJLOFCR-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.66
Rot. Bonds4

About methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate

methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate (PubChem CID 13220198) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate
PubChem CID13220198
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate
SMILESCOC(=O)CC1CCC(CC(=O)OC)O1
InChIInChI=1S/C10H16O5/c1-13-9(11)5-7-3-4-8(15-7)6-10(12)14-2/h7-8H,3-6H2,1-2H3
InChIKeyOLUGMZBFJLOFCR-UHFFFAOYSA-N
XLogP0.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate?
The IUPAC name of methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate (CID 13220198) is methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate is COC(=O)CC1CCC(CC(=O)OC)O1.
What is the InChIKey of methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate?
The InChIKey is OLUGMZBFJLOFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-9(11)5-7-3-4-8(15-7)6-10(12)14-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate?
methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate has a molecular weight of 216.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-methoxy-2-oxoethyl)oxolan-2-yl]acetate is sourced from PubChem (CID 13220198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).