bis(1,2,3,10-dioxadiazecane);hydrogen peroxide

C12H32N4O8 — CID 91621357

IUPACbis(1,2,3,10-dioxadiazecane);hydrogen peroxide
SMILESC1CCCNOONCC1.C1CCCNOONCC1.OO.OO
InChIInChI=1S/2C6H14N2O2.2H2O2/c2*1-2-4-6-8-10-9-7-5-3-1;2*1-2/h2*7-8H,1-6H2;2*1-2H
InChIKeyIFWIZSIKOJBPBY-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.07
Rot. Bonds

About bis(1,2,3,10-dioxadiazecane);hydrogen peroxide

bis(1,2,3,10-dioxadiazecane);hydrogen peroxide (PubChem CID 91621357) has the molecular formula C12H32N4O8 and a molecular weight of 360.41 g/mol. Its IUPAC name is bis(1,2,3,10-dioxadiazecane);hydrogen peroxide.

Molecular Properties

Compound Namebis(1,2,3,10-dioxadiazecane);hydrogen peroxide
PubChem CID91621357
Molecular FormulaC12H32N4O8
Molecular Weight360.41 g/mol
Exact Mass360.22
IUPAC Namebis(1,2,3,10-dioxadiazecane);hydrogen peroxide
SMILESC1CCCNOONCC1.C1CCCNOONCC1.OO.OO
InChIInChI=1S/2C6H14N2O2.2H2O2/c2*1-2-4-6-8-10-9-7-5-3-1;2*1-2/h2*7-8H,1-6H2;2*1-2H
InChIKeyIFWIZSIKOJBPBY-UHFFFAOYSA-N
XLogP1.07
TPSA165.96 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500360.41
LogP ≤ 51.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,10-dioxadiazecane);hydrogen peroxide?
The IUPAC name of bis(1,2,3,10-dioxadiazecane);hydrogen peroxide (CID 91621357) is bis(1,2,3,10-dioxadiazecane);hydrogen peroxide.
What is the SMILES notation for bis(1,2,3,10-dioxadiazecane);hydrogen peroxide?
The canonical SMILES for bis(1,2,3,10-dioxadiazecane);hydrogen peroxide is C1CCCNOONCC1.C1CCCNOONCC1.OO.OO.
What is the InChIKey of bis(1,2,3,10-dioxadiazecane);hydrogen peroxide?
The InChIKey is IFWIZSIKOJBPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N2O2.2H2O2/c2*1-2-4-6-8-10-9-7-5-3-1;2*1-2/h2*7-8H,1-6H2;2*1-2H.
What are the key properties of bis(1,2,3,10-dioxadiazecane);hydrogen peroxide?
bis(1,2,3,10-dioxadiazecane);hydrogen peroxide has a molecular weight of 360.41 g/mol, XLogP of 1.07, 0 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,10-dioxadiazecane);hydrogen peroxide is sourced from PubChem (CID 91621357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).