3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione

C16H20O3 — CID 98570979

IUPAC3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione
SMILESC/C=C\C1(/C=C\C)C(=O)OC(=O)C1(/C=C\C)/C=C/C
InChIInChI=1S/C16H20O3/c1-5-9-15(10-6-2)13(17)19-14(18)16(15,11-7-3)12-8-4/h5-12H,1-4H3/b9-5-,10-6-,11-7-,12-8+
InChIKeyOYNOZYCJSZYBNV-BIJRICHISA-N
MW260.33 g/mol
LogP3.35
Rot. Bonds4

About 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione

3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione (PubChem CID 98570979) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione
PubChem CID98570979
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione
SMILESC/C=C\C1(/C=C\C)C(=O)OC(=O)C1(/C=C\C)/C=C/C
InChIInChI=1S/C16H20O3/c1-5-9-15(10-6-2)13(17)19-14(18)16(15,11-7-3)12-8-4/h5-12H,1-4H3/b9-5-,10-6-,11-7-,12-8+
InChIKeyOYNOZYCJSZYBNV-BIJRICHISA-N
XLogP3.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione?
The IUPAC name of 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione (CID 98570979) is 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione.
What is the SMILES notation for 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione?
The canonical SMILES for 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione is C/C=C\C1(/C=C\C)C(=O)OC(=O)C1(/C=C\C)/C=C/C.
What is the InChIKey of 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione?
The InChIKey is OYNOZYCJSZYBNV-BIJRICHISA-N. The full InChI is InChI=1S/C16H20O3/c1-5-9-15(10-6-2)13(17)19-14(18)16(15,11-7-3)12-8-4/h5-12H,1-4H3/b9-5-,10-6-,11-7-,12-8+.
What are the key properties of 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione?
3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione has a molecular weight of 260.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-tris[(Z)-prop-1-enyl]-3-[(E)-prop-1-enyl]oxolane-2,5-dione is sourced from PubChem (CID 98570979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).