1,3,2-dioxaphospholan-2-ium 2-oxide

C2H4O3P+ — CID 6335925

IUPAC1,3,2-dioxaphospholan-2-ium 2-oxide
SMILESO=[P+]1OCCO1
InChIInChI=1S/C2H4O3P/c3-6-4-1-2-5-6/h1-2H2/q+1
InChIKeyDGRPGFHRMFKIAV-UHFFFAOYSA-N
MW107.03 g/mol
LogP0.69
Rot. Bonds

About 1,3,2-dioxaphospholan-2-ium 2-oxide

1,3,2-dioxaphospholan-2-ium 2-oxide (PubChem CID 6335925) has the molecular formula C2H4O3P+ and a molecular weight of 107.03 g/mol. Its IUPAC name is 1,3,2-dioxaphospholan-2-ium 2-oxide.

Molecular Properties

Compound Name1,3,2-dioxaphospholan-2-ium 2-oxide
PubChem CID6335925
Molecular FormulaC2H4O3P+
Molecular Weight107.03 g/mol
Exact Mass106.99
IUPAC Name1,3,2-dioxaphospholan-2-ium 2-oxide
SMILESO=[P+]1OCCO1
InChIInChI=1S/C2H4O3P/c3-6-4-1-2-5-6/h1-2H2/q+1
InChIKeyDGRPGFHRMFKIAV-UHFFFAOYSA-N
XLogP0.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.03
LogP ≤ 50.69
H-Bond Donors ≤ 50
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 1,3,2-dioxaphospholan-2-ium 2-oxide?
The IUPAC name of 1,3,2-dioxaphospholan-2-ium 2-oxide (CID 6335925) is 1,3,2-dioxaphospholan-2-ium 2-oxide.
What is the SMILES notation for 1,3,2-dioxaphospholan-2-ium 2-oxide?
The canonical SMILES for 1,3,2-dioxaphospholan-2-ium 2-oxide is O=[P+]1OCCO1.
What is the InChIKey of 1,3,2-dioxaphospholan-2-ium 2-oxide?
The InChIKey is DGRPGFHRMFKIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3P/c3-6-4-1-2-5-6/h1-2H2/q+1.
What are the key properties of 1,3,2-dioxaphospholan-2-ium 2-oxide?
1,3,2-dioxaphospholan-2-ium 2-oxide has a molecular weight of 107.03 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxaphospholan-2-ium 2-oxide is sourced from PubChem (CID 6335925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).