3-azidoperoxyperoxypropan-1-ol

C3H7N3O5 — CID 121327590

IUPAC3-azidoperoxyperoxypropan-1-ol
SMILES[N-]=[N+]=NOOOOCCCO
InChIInChI=1S/C3H7N3O5/c4-5-6-9-11-10-8-3-1-2-7/h7H,1-3H2
InChIKeyXSAUHZSNEUZOIR-UHFFFAOYSA-N
MW165.10 g/mol
LogP0.41
Rot. Bonds7

About 3-azidoperoxyperoxypropan-1-ol

3-azidoperoxyperoxypropan-1-ol (PubChem CID 121327590) has the molecular formula C3H7N3O5 and a molecular weight of 165.10 g/mol. Its IUPAC name is 3-azidoperoxyperoxypropan-1-ol.

Molecular Properties

Compound Name3-azidoperoxyperoxypropan-1-ol
PubChem CID121327590
Molecular FormulaC3H7N3O5
Molecular Weight165.10 g/mol
Exact Mass165.04
IUPAC Name3-azidoperoxyperoxypropan-1-ol
SMILES[N-]=[N+]=NOOOOCCCO
InChIInChI=1S/C3H7N3O5/c4-5-6-9-11-10-8-3-1-2-7/h7H,1-3H2
InChIKeyXSAUHZSNEUZOIR-UHFFFAOYSA-N
XLogP0.41
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxyperoxypropan-1-ol
CID 90202053
CID 175301517
CID 175301517
3-azidopropan-1-ol
CID 10996974
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10940805
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 75535108
3-hydroxypropylperoxyphosphinous acid
CID 59356948
6-azidohexan-1-ol
CID 11051778
8-azidooctan-1-ol
CID 11789665
10-azidodecan-1-ol
CID 4641376
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
CID 10517899
2-[3-aminopropoxyperoxy(2-hydroxyethyl)silyl]ethanol
CID 173272057
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564

Frequently Asked Questions

What is the IUPAC name of 3-azidoperoxyperoxypropan-1-ol?
The IUPAC name of 3-azidoperoxyperoxypropan-1-ol (CID 121327590) is 3-azidoperoxyperoxypropan-1-ol.
What is the SMILES notation for 3-azidoperoxyperoxypropan-1-ol?
The canonical SMILES for 3-azidoperoxyperoxypropan-1-ol is [N-]=[N+]=NOOOOCCCO.
What is the InChIKey of 3-azidoperoxyperoxypropan-1-ol?
The InChIKey is XSAUHZSNEUZOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O5/c4-5-6-9-11-10-8-3-1-2-7/h7H,1-3H2.
What are the key properties of 3-azidoperoxyperoxypropan-1-ol?
3-azidoperoxyperoxypropan-1-ol has a molecular weight of 165.10 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidoperoxyperoxypropan-1-ol is sourced from PubChem (CID 121327590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).