2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide

C5H9O4P — CID 11593484

IUPAC2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=COP1(=O)OCCCO1
InChIInChI=1S/C5H9O4P/c1-2-7-10(6)8-4-3-5-9-10/h2H,1,3-5H2
InChIKeyUZHILWPARAGUJD-UHFFFAOYSA-N
MW164.10 g/mol
LogP1.69
Rot. Bonds2

About 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide

2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 11593484) has the molecular formula C5H9O4P and a molecular weight of 164.10 g/mol. Its IUPAC name is 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID11593484
Molecular FormulaC5H9O4P
Molecular Weight164.10 g/mol
Exact Mass164.02
IUPAC Name2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=COP1(=O)OCCCO1
InChIInChI=1S/C5H9O4P/c1-2-7-10(6)8-4-3-5-9-10/h2H,1,3-5H2
InChIKeyUZHILWPARAGUJD-UHFFFAOYSA-N
XLogP1.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl) dihydrogen phosphate
CID 175582994
4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenyl]-1,3-dioxolan-2-one
CID 169009573
2-ethenoxy-2-sulfanylidene-1,3,6,9-tetraoxa-2λ5-phosphacycloundecane
CID 170686947
2-hexoxy-1,3,2λ5-dioxaphosphinane 2-oxide
CID 175558999
2-ethenyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 23343607
4-ethenyl-5-[(E)-2-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethenoxy]-1,3-dioxolan-2-one
CID 169009552
2-butan-2-yl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 14872336
4-ethenyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-2-one
CID 169009571
2-hydroxyethyl 2-methyl-3-(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-2-enoate
CID 175502794
2-methyl-1,3,2lambda5-dioxaphosphocane 2-oxide
CID 12579739
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
2-(oxolan-2-yloxy)-1,3,2λ5-dioxaphospholane 2-oxide
CID 169009570

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide (CID 11593484) is 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide is C=COP1(=O)OCCCO1.
What is the InChIKey of 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is UZHILWPARAGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O4P/c1-2-7-10(6)8-4-3-5-9-10/h2H,1,3-5H2.
What are the key properties of 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide?
2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 164.10 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 11593484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).