2-methoxy-1,3,2-dioxaphospholane

C3H7O3P — CID 19542

IUPAC2-methoxy-1,3,2-dioxaphospholane
SMILESCOP1OCCO1
InChIInChI=1S/C3H7O3P/c1-4-7-5-2-3-6-7/h2-3H2,1H3
InChIKeyFBOPSFFWGHLLTB-UHFFFAOYSA-N
MW122.06 g/mol
LogP0.91
Rot. Bonds1

About 2-methoxy-1,3,2-dioxaphospholane

2-methoxy-1,3,2-dioxaphospholane (PubChem CID 19542) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol. Its IUPAC name is 2-methoxy-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-methoxy-1,3,2-dioxaphospholane
PubChem CID19542
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Name2-methoxy-1,3,2-dioxaphospholane
SMILESCOP1OCCO1
InChIInChI=1S/C3H7O3P/c1-4-7-5-2-3-6-7/h2-3H2,1H3
InChIKeyFBOPSFFWGHLLTB-UHFFFAOYSA-N
XLogP0.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 50.91
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 2-methoxy-1,3,2-dioxaphospholane?
The IUPAC name of 2-methoxy-1,3,2-dioxaphospholane (CID 19542) is 2-methoxy-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-methoxy-1,3,2-dioxaphospholane?
The canonical SMILES for 2-methoxy-1,3,2-dioxaphospholane is COP1OCCO1.
What is the InChIKey of 2-methoxy-1,3,2-dioxaphospholane?
The InChIKey is FBOPSFFWGHLLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c1-4-7-5-2-3-6-7/h2-3H2,1H3.
What are the key properties of 2-methoxy-1,3,2-dioxaphospholane?
2-methoxy-1,3,2-dioxaphospholane has a molecular weight of 122.06 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3,2-dioxaphospholane is sourced from PubChem (CID 19542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).