(E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium

C4H4N8O16Si — CID 155387937

IUPAC(E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium
SMILESO=C(O)/N=[N+](\[O-])O[Si](OC(=O)N[N+](=O)[O-])(O/[N+]([O-])=N/C(=O)O)O/[N+]([O-])=N/C(=O)O
InChIInChI=1S/C4H4N8O16Si/c13-1(14)5-10(22)26-29(25-4(19)8-9(20)21,27-11(23)6-2(15)16)28-12(24)7-3(17)18/h(H,8,19)(H,13,14)(H,15,16)(H,17,18)/b10-5+,11-6+,12-7+
InChIKeyRPDDCMGVLPHXJI-HCFQACMASA-N
MW448.20 g/mol
LogP-0.94
Rot. Bonds8

About (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium

(E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium (PubChem CID 155387937) has the molecular formula C4H4N8O16Si and a molecular weight of 448.20 g/mol. Its IUPAC name is (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium.

Molecular Properties

Compound Name(E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium
PubChem CID155387937
Molecular FormulaC4H4N8O16Si
Molecular Weight448.20 g/mol
Exact Mass447.95
IUPAC Name(E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium
SMILESO=C(O)/N=[N+](\[O-])O[Si](OC(=O)N[N+](=O)[O-])(O/[N+]([O-])=N/C(=O)O)O/[N+]([O-])=N/C(=O)O
InChIInChI=1S/C4H4N8O16Si/c13-1(14)5-10(22)26-29(25-4(19)8-9(20)21,27-11(23)6-2(15)16)28-12(24)7-3(17)18/h(H,8,19)(H,13,14)(H,15,16)(H,17,18)/b10-5+,11-6+,12-7+
InChIKeyRPDDCMGVLPHXJI-HCFQACMASA-N
XLogP-0.94
TPSA336.35 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium?
The IUPAC name of (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium (CID 155387937) is (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium.
What is the SMILES notation for (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium?
The canonical SMILES for (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium is O=C(O)/N=[N+](\[O-])O[Si](OC(=O)N[N+](=O)[O-])(O/[N+]([O-])=N/C(=O)O)O/[N+]([O-])=N/C(=O)O.
What is the InChIKey of (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium?
The InChIKey is RPDDCMGVLPHXJI-HCFQACMASA-N. The full InChI is InChI=1S/C4H4N8O16Si/c13-1(14)5-10(22)26-29(25-4(19)8-9(20)21,27-11(23)6-2(15)16)28-12(24)7-3(17)18/h(H,8,19)(H,13,14)(H,15,16)(H,17,18)/b10-5+,11-6+,12-7+.
What are the key properties of (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium?
(E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium has a molecular weight of 448.20 g/mol, XLogP of -0.94, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[bis[[(E)-carboxyimino(oxido)azaniumyl]oxy]-(nitrocarbamoyloxy)silyl]oxy-carboxyimino-oxidoazanium is sourced from PubChem (CID 155387937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).