propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate

C8H14N2O23 — CID 58741948

IUPACpropyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate
SMILESCCCOOOOOOOOOOOOOOOOOOOOC(=O)N=NC(=O)OCCC
InChIInChI=1S/C8H14N2O23/c1-3-5-13-7(11)9-10-8(12)15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-6-4-2/h3-6H2,1-2H3
InChIKeyMLVHRQZMYONCJU-UHFFFAOYSA-N
MW506.19 g/mol
LogP1.23
Rot. Bonds23

About propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate

propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate (PubChem CID 58741948) has the molecular formula C8H14N2O23 and a molecular weight of 506.19 g/mol. Its IUPAC name is propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate.

Molecular Properties

Compound Namepropyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate
PubChem CID58741948
Molecular FormulaC8H14N2O23
Molecular Weight506.19 g/mol
Exact Mass506.00
IUPAC Namepropyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate
SMILESCCCOOOOOOOOOOOOOOOOOOOOC(=O)N=NC(=O)OCCC
InChIInChI=1S/C8H14N2O23/c1-3-5-13-7(11)9-10-8(12)15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-6-4-2/h3-6H2,1-2H3
InChIKeyMLVHRQZMYONCJU-UHFFFAOYSA-N
XLogP1.23
TPSA252.69 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate?
The IUPAC name of propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate (CID 58741948) is propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate.
What is the SMILES notation for propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate?
The canonical SMILES for propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate is CCCOOOOOOOOOOOOOOOOOOOOC(=O)N=NC(=O)OCCC.
What is the InChIKey of propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate?
The InChIKey is MLVHRQZMYONCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O23/c1-3-5-13-7(11)9-10-8(12)15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-6-4-2/h3-6H2,1-2H3.
What are the key properties of propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate?
propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate has a molecular weight of 506.19 g/mol, XLogP of 1.23, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-propylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbonyliminocarbamate is sourced from PubChem (CID 58741948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).