2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane

C7H17O4P — CID 134885554

IUPAC2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane
SMILESCCP(=O)(OC)OOC(C)(C)C
InChIInChI=1S/C7H17O4P/c1-6-12(8,9-5)11-10-7(2,3)4/h6H2,1-5H3
InChIKeyICNATBYAAWXCQG-UHFFFAOYSA-N
MW196.18 g/mol
LogP2.59
Rot. Bonds4

About 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane

2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane (PubChem CID 134885554) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane.

Molecular Properties

Compound Name2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane
PubChem CID134885554
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane
SMILESCCP(=O)(OC)OOC(C)(C)C
InChIInChI=1S/C7H17O4P/c1-6-12(8,9-5)11-10-7(2,3)4/h6H2,1-5H3
InChIKeyICNATBYAAWXCQG-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane?
The IUPAC name of 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane (CID 134885554) is 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane.
What is the SMILES notation for 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane?
The canonical SMILES for 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane is CCP(=O)(OC)OOC(C)(C)C.
What is the InChIKey of 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane?
The InChIKey is ICNATBYAAWXCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-6-12(8,9-5)11-10-7(2,3)4/h6H2,1-5H3.
What are the key properties of 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane?
2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane has a molecular weight of 196.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methoxy)phosphoryl]peroxy-2-methylpropane is sourced from PubChem (CID 134885554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).