4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one

C9H11O8P — CID 169009552

IUPAC4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1O/C=C/OP1(=O)OCCO1
InChIInChI=1S/C9H11O8P/c1-2-7-8(17-9(10)16-7)12-3-4-13-18(11)14-5-6-15-18/h2-4,7-8H,1,5-6H2/b4-3+
InChIKeyKUUTXXMQVJGFCE-ONEGZZNKSA-N
MW278.15 g/mol
LogP1.69
Rot. Bonds5

About 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one

4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one (PubChem CID 169009552) has the molecular formula C9H11O8P and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one
PubChem CID169009552
Molecular FormulaC9H11O8P
Molecular Weight278.15 g/mol
Exact Mass278.02
IUPAC Name4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1O/C=C/OP1(=O)OCCO1
InChIInChI=1S/C9H11O8P/c1-2-7-8(17-9(10)16-7)12-3-4-13-18(11)14-5-6-15-18/h2-4,7-8H,1,5-6H2/b4-3+
InChIKeyKUUTXXMQVJGFCE-ONEGZZNKSA-N
XLogP1.69
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one (CID 169009552) is 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one is C=CC1OC(=O)OC1O/C=C/OP1(=O)OCCO1.
What is the InChIKey of 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one?
The InChIKey is KUUTXXMQVJGFCE-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H11O8P/c1-2-7-8(17-9(10)16-7)12-3-4-13-18(11)14-5-6-15-18/h2-4,7-8H,1,5-6H2/b4-3+.
What are the key properties of 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one?
4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one has a molecular weight of 278.15 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one is sourced from PubChem (CID 169009552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).