3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid

C11H27NO6P2 — CID 174447711

IUPAC3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid
SMILESCCOP(=O)(OCC)C(CC)(CC)P(=O)(O)ON(C)C
InChIInChI=1S/C11H27NO6P2/c1-7-11(8-2,19(13,14)18-12(5)6)20(15,16-9-3)17-10-4/h7-10H2,1-6H3,(H,13,14)
InChIKeyDYCMZXKLIHJLDF-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.45
Rot. Bonds10

About 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid

3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid (PubChem CID 174447711) has the molecular formula C11H27NO6P2 and a molecular weight of 331.29 g/mol. Its IUPAC name is 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid.

Molecular Properties

Compound Name3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid
PubChem CID174447711
Molecular FormulaC11H27NO6P2
Molecular Weight331.29 g/mol
Exact Mass331.13
IUPAC Name3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid
SMILESCCOP(=O)(OCC)C(CC)(CC)P(=O)(O)ON(C)C
InChIInChI=1S/C11H27NO6P2/c1-7-11(8-2,19(13,14)18-12(5)6)20(15,16-9-3)17-10-4/h7-10H2,1-6H3,(H,13,14)
InChIKeyDYCMZXKLIHJLDF-UHFFFAOYSA-N
XLogP3.45
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethoxy(3-ethylpentan-3-yl)phosphinic acid
CID 88819035
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 87495286
CID 87495286
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
butan-2-yloxy(4-diethoxyphosphorylhepta-1,6-diyn-4-yl)phosphinic acid
CID 75530029
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
[diethoxyphosphoryl-(dimethylcarbamothioylsulfanyl)-ethylsulfanylmethyl] N,N-dimethylcarbamodithioate
CID 11465107
CID 54611578
CID 54611578
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid?
The IUPAC name of 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid (CID 174447711) is 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid.
What is the SMILES notation for 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid?
The canonical SMILES for 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid is CCOP(=O)(OCC)C(CC)(CC)P(=O)(O)ON(C)C.
What is the InChIKey of 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid?
The InChIKey is DYCMZXKLIHJLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO6P2/c1-7-11(8-2,19(13,14)18-12(5)6)20(15,16-9-3)17-10-4/h7-10H2,1-6H3,(H,13,14).
What are the key properties of 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid?
3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid has a molecular weight of 331.29 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylpentan-3-yl(dimethylaminooxy)phosphinic acid is sourced from PubChem (CID 174447711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).