4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one

C7H9O7P — CID 169009543

IUPAC4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(/C=C/OP2(=O)OCCO2)O1
InChIInChI=1S/C7H9O7P/c8-7-10-5-6(14-7)1-2-11-15(9)12-3-4-13-15/h1-2,6H,3-5H2/b2-1+
InChIKeyKLNVYXAZUOLVGC-OWOJBTEDSA-N
MW236.12 g/mol
LogP1.21
Rot. Bonds3

About 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one

4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one (PubChem CID 169009543) has the molecular formula C7H9O7P and a molecular weight of 236.12 g/mol. Its IUPAC name is 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
PubChem CID169009543
Molecular FormulaC7H9O7P
Molecular Weight236.12 g/mol
Exact Mass236.01
IUPAC Name4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(/C=C/OP2(=O)OCCO2)O1
InChIInChI=1S/C7H9O7P/c8-7-10-5-6(14-7)1-2-11-15(9)12-3-4-13-15/h1-2,6H,3-5H2/b2-1+
InChIKeyKLNVYXAZUOLVGC-OWOJBTEDSA-N
XLogP1.21
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one (CID 169009543) is 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one is O=C1OCC(/C=C/OP2(=O)OCCO2)O1.
What is the InChIKey of 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
The InChIKey is KLNVYXAZUOLVGC-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H9O7P/c8-7-10-5-6(14-7)1-2-11-15(9)12-3-4-13-15/h1-2,6H,3-5H2/b2-1+.
What are the key properties of 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one?
4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one has a molecular weight of 236.12 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 169009543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).