4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide

C6H11O4P — CID 22891801

IUPAC4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESC=CC1COP(=O)(OCC)O1
InChIInChI=1S/C6H11O4P/c1-3-6-5-9-11(7,10-6)8-4-2/h3,6H,1,4-5H2,2H3
InChIKeyFSDLIRHTVGZVTP-UHFFFAOYSA-N
MW178.12 g/mol
LogP1.73
Rot. Bonds3

About 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide

4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 22891801) has the molecular formula C6H11O4P and a molecular weight of 178.12 g/mol. Its IUPAC name is 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID22891801
Molecular FormulaC6H11O4P
Molecular Weight178.12 g/mol
Exact Mass178.04
IUPAC Name4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESC=CC1COP(=O)(OCC)O1
InChIInChI=1S/C6H11O4P/c1-3-6-5-9-11(7,10-6)8-4-2/h3,6H,1,4-5H2,2H3
InChIKeyFSDLIRHTVGZVTP-UHFFFAOYSA-N
XLogP1.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 89078403
2-[(4-methyl-2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]ethanamine
CID 67117627
4-ethenyl-2-ethoxy-1,3-dioxolane
CID 22891802
2-phenylmethoxy-5-prop-2-enyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 15170845
2-butan-2-yl-4-ethenyl-1,3-dioxolane
CID 71471387
5-prop-2-enoxy-1,4,2,3,5λ5-dioxadithiaphospholane 5-oxide
CID 87945515
prop-2-enyl 3-oxo-1,2,4,3λ5-trioxaphosphinane-3-sulfonate
CID 130201589
11-ethoxy-5-ethyl-1,3,7,9-tetramethyl-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 14315729
[(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate
CID 11415234
(E)-N-ethoxy-1-(oxiran-2-yl)methanimine
CID 10351675
(2R,4aR,6R,7R,7aS)-6-(4-amino-5-deuteriopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethoxy-7-hydroxy-2-oxo-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile
CID 169313018
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
CID 87577916

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide (CID 22891801) is 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide is C=CC1COP(=O)(OCC)O1.
What is the InChIKey of 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is FSDLIRHTVGZVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O4P/c1-3-6-5-9-11(7,10-6)8-4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide?
4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 178.12 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 22891801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).