3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide

C8H11O3P — CID 15535665

IUPAC3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide
SMILESC=CCOP1(=O)OCC=C1C=C
InChIInChI=1S/C8H11O3P/c1-3-6-10-12(9)8(4-2)5-7-11-12/h3-5H,1-2,6-7H2
InChIKeyBUFIXWASZATGLC-UHFFFAOYSA-N
MW186.15 g/mol
LogP2.48
Rot. Bonds4

About 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide

3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide (PubChem CID 15535665) has the molecular formula C8H11O3P and a molecular weight of 186.15 g/mol. Its IUPAC name is 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide
PubChem CID15535665
Molecular FormulaC8H11O3P
Molecular Weight186.15 g/mol
Exact Mass186.04
IUPAC Name3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide
SMILESC=CCOP1(=O)OCC=C1C=C
InChIInChI=1S/C8H11O3P/c1-3-6-10-12(9)8(4-2)5-7-11-12/h3-5H,1-2,6-7H2
InChIKeyBUFIXWASZATGLC-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-3-ethenyl-5H-1,2lambda5-oxaphosphole 2-oxide
CID 15535668
(3E)-3-diethoxyphosphorylpenta-1,3-diene
CID 134917669
Bis(but-2-enoxy)-oxophosphanium
CID 57230966
3-Diethoxyphosphorylpenta-1,3-diene
CID 86179260
3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole
CID 101135757
4-Diethoxyphosphorylpenta-1,3-diene
CID 140443355
Hydroxy-oxo-penta-2,4-dienoxyphosphanium
CID 172685302
(3Z)-3-diethoxyphosphorylpenta-1,3-diene
CID 101673227
1-Diethoxyphosphorylcyclopenta-1,2,4-triene
CID 177594219

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide?
The IUPAC name of 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide (CID 15535665) is 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide.
What is the SMILES notation for 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide?
The canonical SMILES for 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide is C=CCOP1(=O)OCC=C1C=C.
What is the InChIKey of 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide?
The InChIKey is BUFIXWASZATGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3P/c1-3-6-10-12(9)8(4-2)5-7-11-12/h3-5H,1-2,6-7H2.
What are the key properties of 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide?
3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide has a molecular weight of 186.15 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-prop-2-enoxy-5H-1,2λ5-oxaphosphole 2-oxide is sourced from PubChem (CID 15535665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).