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

C9H13O3P — CID 15535668

IUPAC2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide
SMILESC=CCCOP1(=O)OCC=C1C=C
InChIInChI=1S/C9H13O3P/c1-3-5-7-11-13(10)9(4-2)6-8-12-13/h3-4,6H,1-2,5,7-8H2
InChIKeyGMYUCXLFQDEMQS-UHFFFAOYSA-N
MW200.17 g/mol
LogP2.87
Rot. Bonds5

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

2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide (PubChem CID 15535668) has the molecular formula C9H13O3P and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide
PubChem CID15535668
Molecular FormulaC9H13O3P
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide
SMILESC=CCCOP1(=O)OCC=C1C=C
InChIInChI=1S/C9H13O3P/c1-3-5-7-11-13(10)9(4-2)6-8-12-13/h3-4,6H,1-2,5,7-8H2
InChIKeyGMYUCXLFQDEMQS-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,10-Dioxa-1lambda5-phosphabicyclo[5.3.0]deca-5,7-diene 1-oxide
CID 15535667
1-Diethoxyphosphorylcyclopenta-1,3-diene
CID 89073470
3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole
CID 101135757
(3E)-3-[[ethoxy(methyl)phosphoryl]oxymethyl]hexa-1,3,5-triene
CID 145111816
2-But-3-enoxy-3-ethenyl-5,6-dihydro-1,2lambda5-oxaphosphinine 2-oxide
CID 11252864
3-ethenyl-2-prop-2-enoxy-5H-1,2lambda5-oxaphosphole 2-oxide
CID 15535665

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide?
The IUPAC name of 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide (CID 15535668) is 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide.
What is the SMILES notation for 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide?
The canonical SMILES for 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide is C=CCCOP1(=O)OCC=C1C=C.
What is the InChIKey of 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide?
The InChIKey is GMYUCXLFQDEMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3P/c1-3-5-7-11-13(10)9(4-2)6-8-12-13/h3-4,6H,1-2,5,7-8H2.
What are the key properties of 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide?
2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide has a molecular weight of 200.17 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-3-ethenyl-5H-1,2λ5-oxaphosphole 2-oxide is sourced from PubChem (CID 15535668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).