3,3-bis(prop-2-enyl)oxolane-2,4-dione

C10H12O3 — CID 11217589

IUPAC3,3-bis(prop-2-enyl)oxolane-2,4-dione
SMILESC=CCC1(CC=C)C(=O)COC1=O
InChIInChI=1S/C10H12O3/c1-3-5-10(6-4-2)8(11)7-13-9(10)12/h3-4H,1-2,5-7H2
InChIKeyQHDFICYMOSEKSJ-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.25
Rot. Bonds4

About 3,3-bis(prop-2-enyl)oxolane-2,4-dione

3,3-bis(prop-2-enyl)oxolane-2,4-dione (PubChem CID 11217589) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3,3-bis(prop-2-enyl)oxolane-2,4-dione.

Molecular Properties

Compound Name3,3-bis(prop-2-enyl)oxolane-2,4-dione
PubChem CID11217589
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3,3-bis(prop-2-enyl)oxolane-2,4-dione
SMILESC=CCC1(CC=C)C(=O)COC1=O
InChIInChI=1S/C10H12O3/c1-3-5-10(6-4-2)8(11)7-13-9(10)12/h3-4H,1-2,5-7H2
InChIKeyQHDFICYMOSEKSJ-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.25
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 3,3-bis(prop-2-enyl)oxolane-2,4-dione?
The IUPAC name of 3,3-bis(prop-2-enyl)oxolane-2,4-dione (CID 11217589) is 3,3-bis(prop-2-enyl)oxolane-2,4-dione.
What is the SMILES notation for 3,3-bis(prop-2-enyl)oxolane-2,4-dione?
The canonical SMILES for 3,3-bis(prop-2-enyl)oxolane-2,4-dione is C=CCC1(CC=C)C(=O)COC1=O.
What is the InChIKey of 3,3-bis(prop-2-enyl)oxolane-2,4-dione?
The InChIKey is QHDFICYMOSEKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-5-10(6-4-2)8(11)7-13-9(10)12/h3-4H,1-2,5-7H2.
What are the key properties of 3,3-bis(prop-2-enyl)oxolane-2,4-dione?
3,3-bis(prop-2-enyl)oxolane-2,4-dione has a molecular weight of 180.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enyl)oxolane-2,4-dione is sourced from PubChem (CID 11217589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).