2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde

C8H10O5 — CID 91244911

IUPAC2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde
SMILESCOCC(=O)C1OC(=O)CC1C=O
InChIInChI=1S/C8H10O5/c1-12-4-6(10)8-5(3-9)2-7(11)13-8/h3,5,8H,2,4H2,1H3
InChIKeyAMZZKKUJXHEMCD-UHFFFAOYSA-N
MW186.16 g/mol
LogP-0.67
Rot. Bonds4

About 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde

2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde (PubChem CID 91244911) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde
PubChem CID91244911
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde
SMILESCOCC(=O)C1OC(=O)CC1C=O
InChIInChI=1S/C8H10O5/c1-12-4-6(10)8-5(3-9)2-7(11)13-8/h3,5,8H,2,4H2,1H3
InChIKeyAMZZKKUJXHEMCD-UHFFFAOYSA-N
XLogP-0.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde?
The IUPAC name of 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde (CID 91244911) is 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde?
The canonical SMILES for 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde is COCC(=O)C1OC(=O)CC1C=O.
What is the InChIKey of 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde?
The InChIKey is AMZZKKUJXHEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-12-4-6(10)8-5(3-9)2-7(11)13-8/h3,5,8H,2,4H2,1H3.
What are the key properties of 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde?
2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde has a molecular weight of 186.16 g/mol, XLogP of -0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyacetyl)-5-oxooxolane-3-carbaldehyde is sourced from PubChem (CID 91244911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).