bis(2-ethenylpyran-2-yl) carbonate

C15H14O5 — CID 22267061

IUPACbis(2-ethenylpyran-2-yl) carbonate
SMILESC=CC1(OC(=O)OC2(C=C)C=CC=CO2)C=CC=CO1
InChIInChI=1S/C15H14O5/c1-3-14(9-5-7-11-17-14)19-13(16)20-15(4-2)10-6-8-12-18-15/h3-12H,1-2H2
InChIKeySWBDYOJSRDHOCI-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.10
Rot. Bonds4

About bis(2-ethenylpyran-2-yl) carbonate

bis(2-ethenylpyran-2-yl) carbonate (PubChem CID 22267061) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is bis(2-ethenylpyran-2-yl) carbonate.

Molecular Properties

Compound Namebis(2-ethenylpyran-2-yl) carbonate
PubChem CID22267061
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namebis(2-ethenylpyran-2-yl) carbonate
SMILESC=CC1(OC(=O)OC2(C=C)C=CC=CO2)C=CC=CO1
InChIInChI=1S/C15H14O5/c1-3-14(9-5-7-11-17-14)19-13(16)20-15(4-2)10-6-8-12-18-15/h3-12H,1-2H2
InChIKeySWBDYOJSRDHOCI-UHFFFAOYSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(2-ethenylpyran-2-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-ethenylpyran-2-yl) carbonate?
The IUPAC name of bis(2-ethenylpyran-2-yl) carbonate (CID 22267061) is bis(2-ethenylpyran-2-yl) carbonate.
What is the SMILES notation for bis(2-ethenylpyran-2-yl) carbonate?
The canonical SMILES for bis(2-ethenylpyran-2-yl) carbonate is C=CC1(OC(=O)OC2(C=C)C=CC=CO2)C=CC=CO1.
What is the InChIKey of bis(2-ethenylpyran-2-yl) carbonate?
The InChIKey is SWBDYOJSRDHOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-3-14(9-5-7-11-17-14)19-13(16)20-15(4-2)10-6-8-12-18-15/h3-12H,1-2H2.
What are the key properties of bis(2-ethenylpyran-2-yl) carbonate?
bis(2-ethenylpyran-2-yl) carbonate has a molecular weight of 274.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethenylpyran-2-yl) carbonate is sourced from PubChem (CID 22267061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).