methyl 2-(5-methoxyoxolan-2-yl)acetate

C8H14O4 — CID 101108159

IUPACmethyl 2-(5-methoxyoxolan-2-yl)acetate
SMILESCOC(=O)CC1CCC(OC)O1
InChIInChI=1S/C8H14O4/c1-10-7(9)5-6-3-4-8(11-2)12-6/h6,8H,3-5H2,1-2H3
InChIKeyINYCMCXETMHRPA-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.70
Rot. Bonds3

About methyl 2-(5-methoxyoxolan-2-yl)acetate

methyl 2-(5-methoxyoxolan-2-yl)acetate (PubChem CID 101108159) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-(5-methoxyoxolan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methoxyoxolan-2-yl)acetate
PubChem CID101108159
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 2-(5-methoxyoxolan-2-yl)acetate
SMILESCOC(=O)CC1CCC(OC)O1
InChIInChI=1S/C8H14O4/c1-10-7(9)5-6-3-4-8(11-2)12-6/h6,8H,3-5H2,1-2H3
InChIKeyINYCMCXETMHRPA-UHFFFAOYSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxyoxolan-2-yl)acetate?
The IUPAC name of methyl 2-(5-methoxyoxolan-2-yl)acetate (CID 101108159) is methyl 2-(5-methoxyoxolan-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methoxyoxolan-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methoxyoxolan-2-yl)acetate is COC(=O)CC1CCC(OC)O1.
What is the InChIKey of methyl 2-(5-methoxyoxolan-2-yl)acetate?
The InChIKey is INYCMCXETMHRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-10-7(9)5-6-3-4-8(11-2)12-6/h6,8H,3-5H2,1-2H3.
What are the key properties of methyl 2-(5-methoxyoxolan-2-yl)acetate?
methyl 2-(5-methoxyoxolan-2-yl)acetate has a molecular weight of 174.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methoxyoxolan-2-yl)acetate is sourced from PubChem (CID 101108159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).