3-hydroxypropylperoxyphosphinous acid

C3H9O4P — CID 59356948

IUPAC3-hydroxypropylperoxyphosphinous acid
SMILESOCCCOOPO
InChIInChI=1S/C3H9O4P/c4-2-1-3-6-7-8-5/h4-5,8H,1-3H2
InChIKeyQNTFRRWNVICZJR-UHFFFAOYSA-N
MW140.07 g/mol
LogP-0.18
Rot. Bonds5

About 3-hydroxypropylperoxyphosphinous acid

3-hydroxypropylperoxyphosphinous acid (PubChem CID 59356948) has the molecular formula C3H9O4P and a molecular weight of 140.07 g/mol. Its IUPAC name is 3-hydroxypropylperoxyphosphinous acid.

Molecular Properties

Compound Name3-hydroxypropylperoxyphosphinous acid
PubChem CID59356948
Molecular FormulaC3H9O4P
Molecular Weight140.07 g/mol
Exact Mass140.02
IUPAC Name3-hydroxypropylperoxyphosphinous acid
SMILESOCCCOOPO
InChIInChI=1S/C3H9O4P/c4-2-1-3-6-7-8-5/h4-5,8H,1-3H2
InChIKeyQNTFRRWNVICZJR-UHFFFAOYSA-N
XLogP-0.18
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxyperoxypropan-1-ol
CID 90202053
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
8-(trioxidanyl)octan-1-ol
CID 87737807
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
3-hydroxypropoxymethanediol
CID 54044719
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917
3-(iodomethoxy)propan-1-ol
CID 89078157
CID 22714862
CID 22714862
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-[2-(3-hydroxypropoxymethoxy)ethyl]azanium
CID 156621797

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropylperoxyphosphinous acid?
The IUPAC name of 3-hydroxypropylperoxyphosphinous acid (CID 59356948) is 3-hydroxypropylperoxyphosphinous acid.
What is the SMILES notation for 3-hydroxypropylperoxyphosphinous acid?
The canonical SMILES for 3-hydroxypropylperoxyphosphinous acid is OCCCOOPO.
What is the InChIKey of 3-hydroxypropylperoxyphosphinous acid?
The InChIKey is QNTFRRWNVICZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O4P/c4-2-1-3-6-7-8-5/h4-5,8H,1-3H2.
What are the key properties of 3-hydroxypropylperoxyphosphinous acid?
3-hydroxypropylperoxyphosphinous acid has a molecular weight of 140.07 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropylperoxyphosphinous acid is sourced from PubChem (CID 59356948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).