dipropoxyphosphorylmethylphosphonic acid

C7H18O6P2 — CID 57255852

IUPACdipropoxyphosphorylmethylphosphonic acid
SMILESCCCOP(=O)(CP(=O)(O)O)OCCC
InChIInChI=1S/C7H18O6P2/c1-3-5-12-15(11,13-6-4-2)7-14(8,9)10/h3-7H2,1-2H3,(H2,8,9,10)
InChIKeyLUYWGQMMRAVJLH-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.17
Rot. Bonds8

About dipropoxyphosphorylmethylphosphonic acid

dipropoxyphosphorylmethylphosphonic acid (PubChem CID 57255852) has the molecular formula C7H18O6P2 and a molecular weight of 260.16 g/mol. Its IUPAC name is dipropoxyphosphorylmethylphosphonic acid.

Molecular Properties

Compound Namedipropoxyphosphorylmethylphosphonic acid
PubChem CID57255852
Molecular FormulaC7H18O6P2
Molecular Weight260.16 g/mol
Exact Mass260.06
IUPAC Namedipropoxyphosphorylmethylphosphonic acid
SMILESCCCOP(=O)(CP(=O)(O)O)OCCC
InChIInChI=1S/C7H18O6P2/c1-3-5-12-15(11,13-6-4-2)7-14(8,9)10/h3-7H2,1-2H3,(H2,8,9,10)
InChIKeyLUYWGQMMRAVJLH-UHFFFAOYSA-N
XLogP2.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibutoxyphosphorylmethylphosphonic acid
CID 57169344
3-dipropoxyphosphorylpropanoic acid
CID 34250012
1-[dibutoxyphosphorylmethyl(methoxy)phosphoryl]oxybutane
CID 23044732
3-[hydroxy(propoxy)phosphoryl]oxypropylphosphonic acid
CID 126688943
propyl dihydrogen phosphate;urea
CID 88818408
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
[hydroxy(propoxy)phosphoryl]oxy-trimethylazanium
CID 154512469
decyl propyl hydrogen phosphate
CID 87587050
CID 91053846
CID 91053846
3-propoxypropylphosphonic acid
CID 89355602
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534

Frequently Asked Questions

What is the IUPAC name of dipropoxyphosphorylmethylphosphonic acid?
The IUPAC name of dipropoxyphosphorylmethylphosphonic acid (CID 57255852) is dipropoxyphosphorylmethylphosphonic acid.
What is the SMILES notation for dipropoxyphosphorylmethylphosphonic acid?
The canonical SMILES for dipropoxyphosphorylmethylphosphonic acid is CCCOP(=O)(CP(=O)(O)O)OCCC.
What is the InChIKey of dipropoxyphosphorylmethylphosphonic acid?
The InChIKey is LUYWGQMMRAVJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O6P2/c1-3-5-12-15(11,13-6-4-2)7-14(8,9)10/h3-7H2,1-2H3,(H2,8,9,10).
What are the key properties of dipropoxyphosphorylmethylphosphonic acid?
dipropoxyphosphorylmethylphosphonic acid has a molecular weight of 260.16 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyphosphorylmethylphosphonic acid is sourced from PubChem (CID 57255852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).