3-dipropoxyphosphorylpropanoic acid

C9H19O5P — CID 34250012

IUPAC3-dipropoxyphosphorylpropanoic acid
SMILESCCCOP(=O)(CCC(=O)O)OCCC
InChIInChI=1S/C9H19O5P/c1-3-6-13-15(12,14-7-4-2)8-5-9(10)11/h3-8H2,1-2H3,(H,10,11)
InChIKeySLPZZLSDDFYZTB-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.51
Rot. Bonds9

About 3-dipropoxyphosphorylpropanoic acid

3-dipropoxyphosphorylpropanoic acid (PubChem CID 34250012) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-dipropoxyphosphorylpropanoic acid.

Molecular Properties

Compound Name3-dipropoxyphosphorylpropanoic acid
PubChem CID34250012
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name3-dipropoxyphosphorylpropanoic acid
SMILESCCCOP(=O)(CCC(=O)O)OCCC
InChIInChI=1S/C9H19O5P/c1-3-6-13-15(12,14-7-4-2)8-5-9(10)11/h3-8H2,1-2H3,(H,10,11)
InChIKeySLPZZLSDDFYZTB-UHFFFAOYSA-N
XLogP2.51
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-dipropoxyphosphoryl-N-methylpropanamide
CID 88662399
13-diethoxyphosphoryltridecanoic acid
CID 87637864
11-diethoxyphosphorylundecanoic acid
CID 45158998
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
ethyl 3-didodecoxyphosphorylpropanoate
CID 87376118
2-dioctoxyphosphorylacetic acid
CID 121493906
dipropoxyphosphorylmethylphosphonic acid
CID 57255852
3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 19011064
1-[methoxy(propyl)phosphoryl]oxypropane
CID 587089
octadecanoic acid;trioctyl phosphate
CID 87588558
4-diethoxyphosphoryl-1-hydroxybutan-2-one
CID 11009594
3-[methoxy(methyl)phosphoryl]propanoic acid
CID 87778211

Frequently Asked Questions

What is the IUPAC name of 3-dipropoxyphosphorylpropanoic acid?
The IUPAC name of 3-dipropoxyphosphorylpropanoic acid (CID 34250012) is 3-dipropoxyphosphorylpropanoic acid.
What is the SMILES notation for 3-dipropoxyphosphorylpropanoic acid?
The canonical SMILES for 3-dipropoxyphosphorylpropanoic acid is CCCOP(=O)(CCC(=O)O)OCCC.
What is the InChIKey of 3-dipropoxyphosphorylpropanoic acid?
The InChIKey is SLPZZLSDDFYZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-3-6-13-15(12,14-7-4-2)8-5-9(10)11/h3-8H2,1-2H3,(H,10,11).
What are the key properties of 3-dipropoxyphosphorylpropanoic acid?
3-dipropoxyphosphorylpropanoic acid has a molecular weight of 238.22 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dipropoxyphosphorylpropanoic acid is sourced from PubChem (CID 34250012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).