azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid

C20H40N2O6S — CID 173272268

IUPACazane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid
SMILESCC=C(CCCCCCCCC)OOCCc1ccccc1.N.N.O=S(=O)(O)O
InChIInChI=1S/C20H32O2.2H3N.H2O4S/c1-3-5-6-7-8-9-13-16-20(4-2)22-21-18-17-19-14-11-10-12-15-19;;;1-5(2,3)4/h4,10-12,14-15H,3,5-9,13,16-18H2,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyWGZQPIIDNXUJDM-UHFFFAOYSA-N
MW436.62 g/mol
LogP5.89
Rot. Bonds13

About azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid

azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid (PubChem CID 173272268) has the molecular formula C20H40N2O6S and a molecular weight of 436.62 g/mol. Its IUPAC name is azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid.

Molecular Properties

Compound Nameazane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid
PubChem CID173272268
Molecular FormulaC20H40N2O6S
Molecular Weight436.62 g/mol
Exact Mass436.26
IUPAC Nameazane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid
SMILESCC=C(CCCCCCCCC)OOCCc1ccccc1.N.N.O=S(=O)(O)O
InChIInChI=1S/C20H32O2.2H3N.H2O4S/c1-3-5-6-7-8-9-13-16-20(4-2)22-21-18-17-19-14-11-10-12-15-19;;;1-5(2,3)4/h4,10-12,14-15H,3,5-9,13,16-18H2,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyWGZQPIIDNXUJDM-UHFFFAOYSA-N
XLogP5.89
TPSA163.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid?
The IUPAC name of azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid (CID 173272268) is azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid.
What is the SMILES notation for azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid?
The canonical SMILES for azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid is CC=C(CCCCCCCCC)OOCCc1ccccc1.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid?
The InChIKey is WGZQPIIDNXUJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2.2H3N.H2O4S/c1-3-5-6-7-8-9-13-16-20(4-2)22-21-18-17-19-14-11-10-12-15-19;;;1-5(2,3)4/h4,10-12,14-15H,3,5-9,13,16-18H2,1-2H3;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid?
azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid has a molecular weight of 436.62 g/mol, XLogP of 5.89, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-dodec-2-en-3-ylperoxyethylbenzene;sulfuric acid is sourced from PubChem (CID 173272268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).