14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene

C12H15NO6 — CID 697932

IUPAC14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
SMILESO=[N+]([O-])c1ccc2c(c1)OCCOCCOCCO2
InChIInChI=1S/C12H15NO6/c14-13(15)10-1-2-11-12(9-10)19-8-6-17-4-3-16-5-7-18-11/h1-2,9H,3-8H2
InChIKeyUUQRTEFANVWPTD-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.40
Rot. Bonds1

About 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene

14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene (PubChem CID 697932) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene.

Molecular Properties

Compound Name14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
PubChem CID697932
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
SMILESO=[N+]([O-])c1ccc2c(c1)OCCOCCOCCO2
InChIInChI=1S/C12H15NO6/c14-13(15)10-1-2-11-12(9-10)19-8-6-17-4-3-16-5-7-18-11/h1-2,9H,3-8H2
InChIKeyUUQRTEFANVWPTD-UHFFFAOYSA-N
XLogP1.40
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-Methoxy-5-nitrophenol
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1,2-Dimethoxy-4,5-dinitrobenzene
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Frequently Asked Questions

What is the IUPAC name of 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The IUPAC name of 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene (CID 697932) is 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene.
What is the SMILES notation for 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The canonical SMILES for 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene is O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCO2.
What is the InChIKey of 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The InChIKey is UUQRTEFANVWPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c14-13(15)10-1-2-11-12(9-10)19-8-6-17-4-3-16-5-7-18-11/h1-2,9H,3-8H2.
What are the key properties of 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene has a molecular weight of 269.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene is sourced from PubChem (CID 697932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).