Methyl 3-((di-tert-butoxyphosphoryloxy)methyl)benzoate

HCID 68385353

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1cccc(COP(=O)(OC(C)(C)C)OC(C)(C)C)c1
InChIKey: MSDNAVUHWDLRDC-UHFFFAOYSA-N
Molecular formula: C17H27O6P
Average molar mass: 358.4 g/mol
Monoisotopic mass: 358.15452557

Names & identifiers

Preferred name: Methyl 3-((di-tert-butoxyphosphoryloxy)methyl)benzoate
IUPAC: methyl 3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl]benzoate

Names & synonyms

SCHEMBL12813893MSDNAVUHWDLRDC-UHFFFAOYSA-Nmethyl 3-((di-tert-butoxyphosphoryloxy)methyl)benzoateMethyl 3-(((di-tert-butoxyphosphoryl)oxy)methyl)benzoate

Database identifiers

PubChem CID: 68385353

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 71.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 443

Related reactions

3 records

New reaction record

HRID 595036As productuspto-grants-2016_01

HRID 1396034As productuspto-grants-2014_12

HRID 1396035As reactantuspto-grants-2014_12

Compound notes

Loading…