5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C8H18O6P2 — CID 102025046

IUPAC5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCOP(C)(=O)OCC1(C)COP(C)(=O)OC1
InChIInChI=1S/C8H18O6P2/c1-8(5-12-15(3,9)11-2)6-13-16(4,10)14-7-8/h5-7H2,1-4H3
InChIKeyQHDFOUZPANVIBA-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.35
Rot. Bonds4

About 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 102025046) has the molecular formula C8H18O6P2 and a molecular weight of 272.17 g/mol. Its IUPAC name is 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID102025046
Molecular FormulaC8H18O6P2
Molecular Weight272.17 g/mol
Exact Mass272.06
IUPAC Name5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCOP(C)(=O)OCC1(C)COP(C)(=O)OC1
InChIInChI=1S/C8H18O6P2/c1-8(5-12-15(3,9)11-2)6-13-16(4,10)14-7-8/h5-7H2,1-4H3
InChIKeyQHDFOUZPANVIBA-UHFFFAOYSA-N
XLogP2.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 102025046) is 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is COP(C)(=O)OCC1(C)COP(C)(=O)OC1.
What is the InChIKey of 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is QHDFOUZPANVIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6P2/c1-8(5-12-15(3,9)11-2)6-13-16(4,10)14-7-8/h5-7H2,1-4H3.
What are the key properties of 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 272.17 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methoxy(methyl)phosphoryl]oxymethyl]-2,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 102025046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).