methyl 2-methoxyoxolane-3-carboxylate

C7H12O4 — CID 10374707

IUPACmethyl 2-methoxyoxolane-3-carboxylate
SMILESCOC(=O)C1CCOC1OC
InChIInChI=1S/C7H12O4/c1-9-6(8)5-3-4-11-7(5)10-2/h5,7H,3-4H2,1-2H3
InChIKeyQWUVZLCBSCYPBK-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.17
Rot. Bonds2

About methyl 2-methoxyoxolane-3-carboxylate

methyl 2-methoxyoxolane-3-carboxylate (PubChem CID 10374707) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl 2-methoxyoxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxyoxolane-3-carboxylate
PubChem CID10374707
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethyl 2-methoxyoxolane-3-carboxylate
SMILESCOC(=O)C1CCOC1OC
InChIInChI=1S/C7H12O4/c1-9-6(8)5-3-4-11-7(5)10-2/h5,7H,3-4H2,1-2H3
InChIKeyQWUVZLCBSCYPBK-UHFFFAOYSA-N
XLogP0.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyoxolane-3-carboxylate?
The IUPAC name of methyl 2-methoxyoxolane-3-carboxylate (CID 10374707) is methyl 2-methoxyoxolane-3-carboxylate.
What is the SMILES notation for methyl 2-methoxyoxolane-3-carboxylate?
The canonical SMILES for methyl 2-methoxyoxolane-3-carboxylate is COC(=O)C1CCOC1OC.
What is the InChIKey of methyl 2-methoxyoxolane-3-carboxylate?
The InChIKey is QWUVZLCBSCYPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-6(8)5-3-4-11-7(5)10-2/h5,7H,3-4H2,1-2H3.
What are the key properties of methyl 2-methoxyoxolane-3-carboxylate?
methyl 2-methoxyoxolane-3-carboxylate has a molecular weight of 160.17 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyoxolane-3-carboxylate is sourced from PubChem (CID 10374707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).