5-(1-ethoxyprop-2-enyl)oxolan-2-one

C9H14O3 — CID 68979925

IUPAC5-(1-ethoxyprop-2-enyl)oxolan-2-one
SMILESC=CC(OCC)C1CCC(=O)O1
InChIInChI=1S/C9H14O3/c1-3-7(11-4-2)8-5-6-9(10)12-8/h3,7-8H,1,4-6H2,2H3
InChIKeyABCVRCSWHYRZBE-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds4

About 5-(1-ethoxyprop-2-enyl)oxolan-2-one

5-(1-ethoxyprop-2-enyl)oxolan-2-one (PubChem CID 68979925) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-(1-ethoxyprop-2-enyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1-ethoxyprop-2-enyl)oxolan-2-one
PubChem CID68979925
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name5-(1-ethoxyprop-2-enyl)oxolan-2-one
SMILESC=CC(OCC)C1CCC(=O)O1
InChIInChI=1S/C9H14O3/c1-3-7(11-4-2)8-5-6-9(10)12-8/h3,7-8H,1,4-6H2,2H3
InChIKeyABCVRCSWHYRZBE-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyprop-2-enyl)oxolan-2-one?
The IUPAC name of 5-(1-ethoxyprop-2-enyl)oxolan-2-one (CID 68979925) is 5-(1-ethoxyprop-2-enyl)oxolan-2-one.
What is the SMILES notation for 5-(1-ethoxyprop-2-enyl)oxolan-2-one?
The canonical SMILES for 5-(1-ethoxyprop-2-enyl)oxolan-2-one is C=CC(OCC)C1CCC(=O)O1.
What is the InChIKey of 5-(1-ethoxyprop-2-enyl)oxolan-2-one?
The InChIKey is ABCVRCSWHYRZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-7(11-4-2)8-5-6-9(10)12-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 5-(1-ethoxyprop-2-enyl)oxolan-2-one?
5-(1-ethoxyprop-2-enyl)oxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyprop-2-enyl)oxolan-2-one is sourced from PubChem (CID 68979925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).