aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium

C40H50N2O5Si2+2 — CID 155712354

IUPACaminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium
SMILESNO[SiH2+](CCCOc1cccc2c1C=C(c1ccccc1)CCC2)O[SiH2+](CCCOc1cccc2c1C=C(c1ccccc1)CCC2)ON
InChIInChI=1S/C40H50N2O5Si2/c41-45-48(27-11-25-43-39-23-9-19-33-17-7-21-35(29-37(33)39)31-13-3-1-4-14-31)47-49(46-42)28-12-26-44-40-24-10-20-34-18-8-22-36(30-38(34)40)32-15-5-2-6-16-32/h1-6,9-10,13-16,19-20,23-24,29-30H,7-8,11-12,17-18,21-22,25-28,41-42,48-49H2/q+2
InChIKeyISXNZLCSEQRZAI-UHFFFAOYSA-N
MW695.02 g/mol
LogP7.38
Rot. Bonds16

About aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium

aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium (PubChem CID 155712354) has the molecular formula C40H50N2O5Si2+2 and a molecular weight of 695.02 g/mol. Its IUPAC name is aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium.

Molecular Properties

Compound Nameaminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium
PubChem CID155712354
Molecular FormulaC40H50N2O5Si2+2
Molecular Weight695.02 g/mol
Exact Mass694.32
IUPAC Nameaminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium
SMILESNO[SiH2+](CCCOc1cccc2c1C=C(c1ccccc1)CCC2)O[SiH2+](CCCOc1cccc2c1C=C(c1ccccc1)CCC2)ON
InChIInChI=1S/C40H50N2O5Si2/c41-45-48(27-11-25-43-39-23-9-19-33-17-7-21-35(29-37(33)39)31-13-3-1-4-14-31)47-49(46-42)28-12-26-44-40-24-10-20-34-18-8-22-36(30-38(34)40)32-15-5-2-6-16-32/h1-6,9-10,13-16,19-20,23-24,29-30H,7-8,11-12,17-18,21-22,25-28,41-42,48-49H2/q+2
InChIKeyISXNZLCSEQRZAI-UHFFFAOYSA-N
XLogP7.38
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.02
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium?
The IUPAC name of aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium (CID 155712354) is aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium.
What is the SMILES notation for aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium?
The canonical SMILES for aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium is NO[SiH2+](CCCOc1cccc2c1C=C(c1ccccc1)CCC2)O[SiH2+](CCCOc1cccc2c1C=C(c1ccccc1)CCC2)ON.
What is the InChIKey of aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium?
The InChIKey is ISXNZLCSEQRZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50N2O5Si2/c41-45-48(27-11-25-43-39-23-9-19-33-17-7-21-35(29-37(33)39)31-13-3-1-4-14-31)47-49(46-42)28-12-26-44-40-24-10-20-34-18-8-22-36(30-38(34)40)32-15-5-2-6-16-32/h1-6,9-10,13-16,19-20,23-24,29-30H,7-8,11-12,17-18,21-22,25-28,41-42,48-49H2/q+2.
What are the key properties of aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium?
aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium has a molecular weight of 695.02 g/mol, XLogP of 7.38, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy-[aminooxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanyliumyl]oxy-[3-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-4-yl)oxy]propyl]silanylium is sourced from PubChem (CID 155712354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).