methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate

C5H10NO8P — CID 21415678

IUPACmethyl N-bis(methylperoxy)phosphorylcarbonylcarbamate
SMILESCOOP(=O)(OOC)C(=O)NC(=O)OC
InChIInChI=1S/C5H10NO8P/c1-10-4(7)6-5(8)15(9,13-11-2)14-12-3/h1-3H3,(H,6,7,8)
InChIKeyWIXFWRFTIDEIAY-UHFFFAOYSA-N
MW243.11 g/mol
LogP0.81
Rot. Bonds5

About methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate

methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate (PubChem CID 21415678) has the molecular formula C5H10NO8P and a molecular weight of 243.11 g/mol. Its IUPAC name is methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate.

Molecular Properties

Compound Namemethyl N-bis(methylperoxy)phosphorylcarbonylcarbamate
PubChem CID21415678
Molecular FormulaC5H10NO8P
Molecular Weight243.11 g/mol
Exact Mass243.01
IUPAC Namemethyl N-bis(methylperoxy)phosphorylcarbonylcarbamate
SMILESCOOP(=O)(OOC)C(=O)NC(=O)OC
InChIInChI=1S/C5H10NO8P/c1-10-4(7)6-5(8)15(9,13-11-2)14-12-3/h1-3H3,(H,6,7,8)
InChIKeyWIXFWRFTIDEIAY-UHFFFAOYSA-N
XLogP0.81
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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 methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate?
The IUPAC name of methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate (CID 21415678) is methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate.
What is the SMILES notation for methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate?
The canonical SMILES for methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate is COOP(=O)(OOC)C(=O)NC(=O)OC.
What is the InChIKey of methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate?
The InChIKey is WIXFWRFTIDEIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO8P/c1-10-4(7)6-5(8)15(9,13-11-2)14-12-3/h1-3H3,(H,6,7,8).
What are the key properties of methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate?
methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate has a molecular weight of 243.11 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate is sourced from PubChem (CID 21415678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).