acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane

C11H30O4P2 — CID 158498900

IUPACacetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane
SMILESC.C.CC(C)(C)P(C)(=O)OP(C)(C)=O.CC=O
InChIInChI=1S/C7H18O3P2.C2H4O.2CH4/c1-7(2,3)12(6,9)10-11(4,5)8;1-2-3;;/h1-6H3;2H,1H3;2*1H4
InChIKeyHJQIPVBZGISFTE-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.72
Rot. Bonds2

About acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane

acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane (PubChem CID 158498900) has the molecular formula C11H30O4P2 and a molecular weight of 288.30 g/mol. Its IUPAC name is acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane.

Molecular Properties

Compound Nameacetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane
PubChem CID158498900
Molecular FormulaC11H30O4P2
Molecular Weight288.30 g/mol
Exact Mass288.16
IUPAC Nameacetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane
SMILESC.C.CC(C)(C)P(C)(=O)OP(C)(C)=O.CC=O
InChIInChI=1S/C7H18O3P2.C2H4O.2CH4/c1-7(2,3)12(6,9)10-11(4,5)8;1-2-3;;/h1-6H3;2H,1H3;2*1H4
InChIKeyHJQIPVBZGISFTE-UHFFFAOYSA-N
XLogP4.72
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(methyl)phosphoryl]oxy-methylphosphoryl]-2-methylpropane
CID 170389690
2-[2-methoxyethoxy(methyl)phosphoryl]-2-methylpropane
CID 88590797
1-[tert-butyl(methyl)phosphoryl]oxybutane
CID 89041281
acetaldehyde;ethane;methane
CID 159605506
acetaldehyde;formaldehyde
CID 162213164
acetaldehyde
CID 158130567
dimethylphosphorylmethane;[dimethylphosphoryloxy(methyl)phosphoryl]methane;[[dimethylphosphoryloxy(methyl)phosphoryl]oxy-methylphosphoryl]methane
CID 160942040
acetaldehyde;prop-1-ene
CID 157049777
acetaldehyde;[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxy-methylphosphinic acid;[hydroxy(phosphonooxy)phosphoryl]oxy-methylphosphinic acid;methyl(phosphonooxy)phosphinic acid
CID 157192838
acetaldehyde;gold
CID 173056569
acetaldehyde;azane
CID 158638397
acetaldehyde;stibane
CID 173001465

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane?
The IUPAC name of acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane (CID 158498900) is acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane.
What is the SMILES notation for acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane?
The canonical SMILES for acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane is C.C.CC(C)(C)P(C)(=O)OP(C)(C)=O.CC=O.
What is the InChIKey of acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane?
The InChIKey is HJQIPVBZGISFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3P2.C2H4O.2CH4/c1-7(2,3)12(6,9)10-11(4,5)8;1-2-3;;/h1-6H3;2H,1H3;2*1H4.
What are the key properties of acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane?
acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane has a molecular weight of 288.30 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-[dimethylphosphoryloxy(methyl)phosphoryl]-2-methylpropane;methane is sourced from PubChem (CID 158498900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).