3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid

C8H18NO4P — CID 169084686

IUPAC3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid
SMILESCC(=NO)C(C)P(=O)(O)OCC(C)C
InChIInChI=1S/C8H18NO4P/c1-6(2)5-13-14(11,12)8(4)7(3)9-10/h6,8,10H,5H2,1-4H3,(H,11,12)
InChIKeyIOILYDAREZNVQY-UHFFFAOYSA-N
MW223.21 g/mol
LogP2.08
Rot. Bonds5

About 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid

3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid (PubChem CID 169084686) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid.

Molecular Properties

Compound Name3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid
PubChem CID169084686
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid
SMILESCC(=NO)C(C)P(=O)(O)OCC(C)C
InChIInChI=1S/C8H18NO4P/c1-6(2)5-13-14(11,12)8(4)7(3)9-10/h6,8,10H,5H2,1-4H3,(H,11,12)
InChIKeyIOILYDAREZNVQY-UHFFFAOYSA-N
XLogP2.08
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
CID 169084705
3-hydroxyiminobutan-2-yl(propyl)phosphinic acid
CID 169084784
N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine
CID 169084703
2-methylpropyl phosphate
CID 22629809
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
[1-[bis(2-methylpropoxy)phosphoryl]-2,2-dichloroethyl] acetate
CID 23418146
[1-[bis(2-methylpropoxy)phosphoryl]-2,2,2-trichloroethyl] acetate
CID 23280284
bis(2-methylpropyl) 1,2,2,2-tetrachloroethyl phosphate
CID 3030000
(NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine
CID 129383429
[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium
CID 167632290
(4-methylphenyl) 2-methylpropyl hydrogen phosphate
CID 175181889

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid?
The IUPAC name of 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid (CID 169084686) is 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid.
What is the SMILES notation for 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid?
The canonical SMILES for 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid is CC(=NO)C(C)P(=O)(O)OCC(C)C.
What is the InChIKey of 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid?
The InChIKey is IOILYDAREZNVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-6(2)5-13-14(11,12)8(4)7(3)9-10/h6,8,10H,5H2,1-4H3,(H,11,12).
What are the key properties of 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid?
3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid has a molecular weight of 223.21 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid is sourced from PubChem (CID 169084686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).