methyl 2-methoxy-5-methyloxolane-3-carboxylate

C8H14O4 — CID 58282806

IUPACmethyl 2-methoxy-5-methyloxolane-3-carboxylate
SMILESCOC(=O)C1CC(C)OC1OC
InChIInChI=1S/C8H14O4/c1-5-4-6(7(9)10-2)8(11-3)12-5/h5-6,8H,4H2,1-3H3
InChIKeyIJKOLJLWMHVUMY-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.56
Rot. Bonds2

About methyl 2-methoxy-5-methyloxolane-3-carboxylate

methyl 2-methoxy-5-methyloxolane-3-carboxylate (PubChem CID 58282806) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-methoxy-5-methyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-methyloxolane-3-carboxylate
PubChem CID58282806
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 2-methoxy-5-methyloxolane-3-carboxylate
SMILESCOC(=O)C1CC(C)OC1OC
InChIInChI=1S/C8H14O4/c1-5-4-6(7(9)10-2)8(11-3)12-5/h5-6,8H,4H2,1-3H3
InChIKeyIJKOLJLWMHVUMY-UHFFFAOYSA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-methyloxolane-3-carboxylate?
The IUPAC name of methyl 2-methoxy-5-methyloxolane-3-carboxylate (CID 58282806) is methyl 2-methoxy-5-methyloxolane-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-5-methyloxolane-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-5-methyloxolane-3-carboxylate is COC(=O)C1CC(C)OC1OC.
What is the InChIKey of methyl 2-methoxy-5-methyloxolane-3-carboxylate?
The InChIKey is IJKOLJLWMHVUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-4-6(7(9)10-2)8(11-3)12-5/h5-6,8H,4H2,1-3H3.
What are the key properties of methyl 2-methoxy-5-methyloxolane-3-carboxylate?
methyl 2-methoxy-5-methyloxolane-3-carboxylate has a molecular weight of 174.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-methyloxolane-3-carboxylate is sourced from PubChem (CID 58282806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).