lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate

C10H20N2O11Pb — CID 139160191

IUPAClead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate
SMILESC1COCCOCCOCCOCCO1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2]
InChIInChI=1S/C10H20O5.2NO3.Pb/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;2*2-1(3)4;/h1-10H2;;;/q;2*-1;+2
InChIKeyJBSOEQQCMKQAOB-UHFFFAOYSA-N
MW551.47 g/mol
LogP-0.78
Rot. Bonds

About lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate

lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate (PubChem CID 139160191) has the molecular formula C10H20N2O11Pb and a molecular weight of 551.47 g/mol. Its IUPAC name is lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate.

Molecular Properties

Compound Namelead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate
PubChem CID139160191
Molecular FormulaC10H20N2O11Pb
Molecular Weight551.47 g/mol
Exact Mass552.08
IUPAC Namelead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate
SMILESC1COCCOCCOCCOCCO1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2]
InChIInChI=1S/C10H20O5.2NO3.Pb/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;2*2-1(3)4;/h1-10H2;;;/q;2*-1;+2
InChIKeyJBSOEQQCMKQAOB-UHFFFAOYSA-N
XLogP-0.78
TPSA178.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.47
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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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Frequently Asked Questions

What is the IUPAC name of lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate?
The IUPAC name of lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate (CID 139160191) is lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate.
What is the SMILES notation for lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate?
The canonical SMILES for lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate is C1COCCOCCOCCOCCO1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].
What is the InChIKey of lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate?
The InChIKey is JBSOEQQCMKQAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5.2NO3.Pb/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1;2*2-1(3)4;/h1-10H2;;;/q;2*-1;+2.
What are the key properties of lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate?
lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate has a molecular weight of 551.47 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);1,4,7,10,13-pentaoxacyclopentadecane;dinitrate is sourced from PubChem (CID 139160191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).