16-(trioxidanylperoxyperoxy)hexadecyl nitrite

C16H33NO9 — CID 88540912

IUPAC16-(trioxidanylperoxyperoxy)hexadecyl nitrite
SMILESO=NOCCCCCCCCCCCCCCCCOOOOOOO
InChIInChI=1S/C16H33NO9/c18-17-20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-23-25-26-24-22-19/h19H,1-16H2
InChIKeySIEILDVPRSKGMK-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.29
Rot. Bonds23

About 16-(trioxidanylperoxyperoxy)hexadecyl nitrite

16-(trioxidanylperoxyperoxy)hexadecyl nitrite (PubChem CID 88540912) has the molecular formula C16H33NO9 and a molecular weight of 383.44 g/mol. Its IUPAC name is 16-(trioxidanylperoxyperoxy)hexadecyl nitrite.

Molecular Properties

Compound Name16-(trioxidanylperoxyperoxy)hexadecyl nitrite
PubChem CID88540912
Molecular FormulaC16H33NO9
Molecular Weight383.44 g/mol
Exact Mass383.22
IUPAC Name16-(trioxidanylperoxyperoxy)hexadecyl nitrite
SMILESO=NOCCCCCCCCCCCCCCCCOOOOOOO
InChIInChI=1S/C16H33NO9/c18-17-20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-23-25-26-24-22-19/h19H,1-16H2
InChIKeySIEILDVPRSKGMK-UHFFFAOYSA-N
XLogP5.29
TPSA114.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

5-nitrosooxypentyl nitrite
CID 3539614
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
6-chlorohexyl nitrite
CID 157010723
9-hydroperoxyperoxynonane-1-thiol
CID 87496705
4-chlorobutyl nitrite
CID 55302210
1,9-bis(trioxidanyl)nonane
CID 175757644
1-hydroperoxyperoxy-9,9-dimethyldecane
CID 140733484
1-hydroperoxyperoxy-22-pentoxydocosane
CID 118460849
7-(trioxidanyl)heptanoic acid
CID 150083472
CID 59279399
CID 59279399
butyl nitrite;propyl nitrite
CID 88771471
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyethane
CID 89194899

Frequently Asked Questions

What is the IUPAC name of 16-(trioxidanylperoxyperoxy)hexadecyl nitrite?
The IUPAC name of 16-(trioxidanylperoxyperoxy)hexadecyl nitrite (CID 88540912) is 16-(trioxidanylperoxyperoxy)hexadecyl nitrite.
What is the SMILES notation for 16-(trioxidanylperoxyperoxy)hexadecyl nitrite?
The canonical SMILES for 16-(trioxidanylperoxyperoxy)hexadecyl nitrite is O=NOCCCCCCCCCCCCCCCCOOOOOOO.
What is the InChIKey of 16-(trioxidanylperoxyperoxy)hexadecyl nitrite?
The InChIKey is SIEILDVPRSKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO9/c18-17-20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-23-25-26-24-22-19/h19H,1-16H2.
What are the key properties of 16-(trioxidanylperoxyperoxy)hexadecyl nitrite?
16-(trioxidanylperoxyperoxy)hexadecyl nitrite has a molecular weight of 383.44 g/mol, XLogP of 5.29, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(trioxidanylperoxyperoxy)hexadecyl nitrite is sourced from PubChem (CID 88540912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).