3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole

C8H11O2P — CID 101135757

IUPAC3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole
SMILESC=CCOP1OCC=C1C=C
InChIInChI=1S/C8H11O2P/c1-3-6-9-11-8(4-2)5-7-10-11/h3-5H,1-2,6-7H2
InChIKeyGWIQZQOTXBLNNH-UHFFFAOYSA-N
MW170.15 g/mol
LogP2.60
Rot. Bonds4

About 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole

3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole (PubChem CID 101135757) has the molecular formula C8H11O2P and a molecular weight of 170.15 g/mol. Its IUPAC name is 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole.

Molecular Properties

Compound Name3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole
PubChem CID101135757
Molecular FormulaC8H11O2P
Molecular Weight170.15 g/mol
Exact Mass170.05
IUPAC Name3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole
SMILESC=CCOP1OCC=C1C=C
InChIInChI=1S/C8H11O2P/c1-3-6-9-11-8(4-2)5-7-10-11/h3-5H,1-2,6-7H2
InChIKeyGWIQZQOTXBLNNH-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
3-ethenyl-2-prop-2-enoxy-5H-1,2lambda5-oxaphosphole 2-oxide
CID 15535665
CID 101100200
CID 101100200
1-Diethoxyphosphorylcyclopenta-1,2,4-triene
CID 177594219

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole?
The IUPAC name of 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole (CID 101135757) is 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole.
What is the SMILES notation for 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole?
The canonical SMILES for 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole is C=CCOP1OCC=C1C=C.
What is the InChIKey of 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole?
The InChIKey is GWIQZQOTXBLNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2P/c1-3-6-9-11-8(4-2)5-7-10-11/h3-5H,1-2,6-7H2.
What are the key properties of 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole?
3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole has a molecular weight of 170.15 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-prop-2-enoxy-5H-oxaphosphole is sourced from PubChem (CID 101135757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).