5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane

C9H20O5P2 — CID 18405804

IUPAC5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane
SMILESCCC1(COP(C)(=O)OC)COP(C)OC1
InChIInChI=1S/C9H20O5P2/c1-5-9(6-12-15(3)13-7-9)8-14-16(4,10)11-2/h5-8H2,1-4H3
InChIKeyGNINATMCTHWJBT-UHFFFAOYSA-N
MW270.20 g/mol
LogP2.86
Rot. Bonds5

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

5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane (PubChem CID 18405804) has the molecular formula C9H20O5P2 and a molecular weight of 270.20 g/mol. Its IUPAC name is 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane
PubChem CID18405804
Molecular FormulaC9H20O5P2
Molecular Weight270.20 g/mol
Exact Mass270.08
IUPAC Name5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane
SMILESCCC1(COP(C)(=O)OC)COP(C)OC1
InChIInChI=1S/C9H20O5P2/c1-5-9(6-12-15(3)13-7-9)8-14-16(4,10)11-2/h5-8H2,1-4H3
InChIKeyGNINATMCTHWJBT-UHFFFAOYSA-N
XLogP2.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane?
The IUPAC name of 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane (CID 18405804) is 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane is CCC1(COP(C)(=O)OC)COP(C)OC1.
What is the InChIKey of 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane?
The InChIKey is GNINATMCTHWJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5P2/c1-5-9(6-12-15(3)13-7-9)8-14-16(4,10)11-2/h5-8H2,1-4H3.
What are the key properties of 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane?
5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane has a molecular weight of 270.20 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[[methoxy(methyl)phosphoryl]oxymethyl]-2-methyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 18405804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).