methyl 5-methoxyoxane-3-carboxylate

C8H14O4 — CID 57452016

IUPACmethyl 5-methoxyoxane-3-carboxylate
SMILESCOC(=O)C1COCC(OC)C1
InChIInChI=1S/C8H14O4/c1-10-7-3-6(4-12-5-7)8(9)11-2/h6-7H,3-5H2,1-2H3
InChIKeyHVPJCKAZAJPFOX-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.21
Rot. Bonds2

About methyl 5-methoxyoxane-3-carboxylate

methyl 5-methoxyoxane-3-carboxylate (PubChem CID 57452016) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 5-methoxyoxane-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxyoxane-3-carboxylate
PubChem CID57452016
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 5-methoxyoxane-3-carboxylate
SMILESCOC(=O)C1COCC(OC)C1
InChIInChI=1S/C8H14O4/c1-10-7-3-6(4-12-5-7)8(9)11-2/h6-7H,3-5H2,1-2H3
InChIKeyHVPJCKAZAJPFOX-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-methoxyoxane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxyoxane-3-carboxylate?
The IUPAC name of methyl 5-methoxyoxane-3-carboxylate (CID 57452016) is methyl 5-methoxyoxane-3-carboxylate.
What is the SMILES notation for methyl 5-methoxyoxane-3-carboxylate?
The canonical SMILES for methyl 5-methoxyoxane-3-carboxylate is COC(=O)C1COCC(OC)C1.
What is the InChIKey of methyl 5-methoxyoxane-3-carboxylate?
The InChIKey is HVPJCKAZAJPFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-10-7-3-6(4-12-5-7)8(9)11-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 5-methoxyoxane-3-carboxylate?
methyl 5-methoxyoxane-3-carboxylate has a molecular weight of 174.20 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxyoxane-3-carboxylate is sourced from PubChem (CID 57452016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).