2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde

C8H10O3 — CID 88674628

IUPAC2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde
SMILESC=C(C)C1(C=O)CCOC1=O
InChIInChI=1S/C8H10O3/c1-6(2)8(5-9)3-4-11-7(8)10/h5H,1,3-4H2,2H3
InChIKeyJESVUBHRRDERFU-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds2

About 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde

2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde (PubChem CID 88674628) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde
PubChem CID88674628
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde
SMILESC=C(C)C1(C=O)CCOC1=O
InChIInChI=1S/C8H10O3/c1-6(2)8(5-9)3-4-11-7(8)10/h5H,1,3-4H2,2H3
InChIKeyJESVUBHRRDERFU-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde?
The IUPAC name of 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde (CID 88674628) is 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde.
What is the SMILES notation for 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde?
The canonical SMILES for 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde is C=C(C)C1(C=O)CCOC1=O.
What is the InChIKey of 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde?
The InChIKey is JESVUBHRRDERFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-6(2)8(5-9)3-4-11-7(8)10/h5H,1,3-4H2,2H3.
What are the key properties of 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde?
2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde has a molecular weight of 154.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-prop-1-en-2-yloxolane-3-carbaldehyde is sourced from PubChem (CID 88674628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).