methyl 3-(methoxymethyl)oxolane-2-carboxylate

C8H14O4 — CID 122360164

IUPACmethyl 3-(methoxymethyl)oxolane-2-carboxylate
SMILESCOCC1CCOC1C(=O)OC
InChIInChI=1S/C8H14O4/c1-10-5-6-3-4-12-7(6)8(9)11-2/h6-7H,3-5H2,1-2H3
InChIKeyUPSYNBHIRWDZBZ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.21
Rot. Bonds3

About methyl 3-(methoxymethyl)oxolane-2-carboxylate

methyl 3-(methoxymethyl)oxolane-2-carboxylate (PubChem CID 122360164) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 3-(methoxymethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methoxymethyl)oxolane-2-carboxylate
PubChem CID122360164
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 3-(methoxymethyl)oxolane-2-carboxylate
SMILESCOCC1CCOC1C(=O)OC
InChIInChI=1S/C8H14O4/c1-10-5-6-3-4-12-7(6)8(9)11-2/h6-7H,3-5H2,1-2H3
InChIKeyUPSYNBHIRWDZBZ-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxymethyl)oxolane-2-carboxylate?
The IUPAC name of methyl 3-(methoxymethyl)oxolane-2-carboxylate (CID 122360164) is methyl 3-(methoxymethyl)oxolane-2-carboxylate.
What is the SMILES notation for methyl 3-(methoxymethyl)oxolane-2-carboxylate?
The canonical SMILES for methyl 3-(methoxymethyl)oxolane-2-carboxylate is COCC1CCOC1C(=O)OC.
What is the InChIKey of methyl 3-(methoxymethyl)oxolane-2-carboxylate?
The InChIKey is UPSYNBHIRWDZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-10-5-6-3-4-12-7(6)8(9)11-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 3-(methoxymethyl)oxolane-2-carboxylate?
methyl 3-(methoxymethyl)oxolane-2-carboxylate has a molecular weight of 174.20 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxymethyl)oxolane-2-carboxylate is sourced from PubChem (CID 122360164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).