bis(ethylperoxy)phosphoryl cyanate

C5H10NO6P — CID 172555592

IUPACbis(ethylperoxy)phosphoryl cyanate
SMILESCCOOP(=O)(OC#N)OOCC
InChIInChI=1S/C5H10NO6P/c1-3-8-11-13(7,10-5-6)12-9-4-2/h3-4H2,1-2H3
InChIKeyAPERWRIZDUYULD-UHFFFAOYSA-N
MW211.11 g/mol
LogP1.53
Rot. Bonds7

About bis(ethylperoxy)phosphoryl cyanate

bis(ethylperoxy)phosphoryl cyanate (PubChem CID 172555592) has the molecular formula C5H10NO6P and a molecular weight of 211.11 g/mol. Its IUPAC name is bis(ethylperoxy)phosphoryl cyanate.

Molecular Properties

Compound Namebis(ethylperoxy)phosphoryl cyanate
PubChem CID172555592
Molecular FormulaC5H10NO6P
Molecular Weight211.11 g/mol
Exact Mass211.02
IUPAC Namebis(ethylperoxy)phosphoryl cyanate
SMILESCCOOP(=O)(OC#N)OOCC
InChIInChI=1S/C5H10NO6P/c1-3-8-11-13(7,10-5-6)12-9-4-2/h3-4H2,1-2H3
InChIKeyAPERWRIZDUYULD-UHFFFAOYSA-N
XLogP1.53
TPSA87.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(ethylperoxy)phosphoryl cyanate?
The IUPAC name of bis(ethylperoxy)phosphoryl cyanate (CID 172555592) is bis(ethylperoxy)phosphoryl cyanate.
What is the SMILES notation for bis(ethylperoxy)phosphoryl cyanate?
The canonical SMILES for bis(ethylperoxy)phosphoryl cyanate is CCOOP(=O)(OC#N)OOCC.
What is the InChIKey of bis(ethylperoxy)phosphoryl cyanate?
The InChIKey is APERWRIZDUYULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO6P/c1-3-8-11-13(7,10-5-6)12-9-4-2/h3-4H2,1-2H3.
What are the key properties of bis(ethylperoxy)phosphoryl cyanate?
bis(ethylperoxy)phosphoryl cyanate has a molecular weight of 211.11 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethylperoxy)phosphoryl cyanate is sourced from PubChem (CID 172555592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).