2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium

C4H8O3P+ — CID 173019471

IUPAC2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium
SMILESC=C[P+]1(O)OCCO1
InChIInChI=1S/C4H8O3P/c1-2-8(5)6-3-4-7-8/h2,5H,1,3-4H2/q+1
InChIKeyKQZXMZFUSNDRKR-UHFFFAOYSA-N
MW135.08 g/mol
LogP0.93
Rot. Bonds1

About 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium

2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium (PubChem CID 173019471) has the molecular formula C4H8O3P+ and a molecular weight of 135.08 g/mol. Its IUPAC name is 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium.

Molecular Properties

Compound Name2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium
PubChem CID173019471
Molecular FormulaC4H8O3P+
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Name2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium
SMILESC=C[P+]1(O)OCCO1
InChIInChI=1S/C4H8O3P/c1-2-8(5)6-3-4-7-8/h2,5H,1,3-4H2/q+1
InChIKeyKQZXMZFUSNDRKR-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The IUPAC name of 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium (CID 173019471) is 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium.
What is the SMILES notation for 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The canonical SMILES for 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium is C=C[P+]1(O)OCCO1.
What is the InChIKey of 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
The InChIKey is KQZXMZFUSNDRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3P/c1-2-8(5)6-3-4-7-8/h2,5H,1,3-4H2/q+1.
What are the key properties of 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium?
2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium has a molecular weight of 135.08 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-hydroxy-1,3,2-dioxaphospholan-2-ium is sourced from PubChem (CID 173019471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).