1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane
Basic information
- CAS
71787-59-2- Standard SMILES
CP(=O)(O)Oc1ccccc1OCCOCCOc1ccccc1OP(C)(=O)O- InChIKey
MZXOWHSTNCNYFE-UHFFFAOYSA-N- Molecular formula
- C18H24O9P2
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 446.08955633
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane
- IUPAC
- [2-[2-[2-[2-[hydroxy(methyl)phosphoryl]oxyphenoxy]ethoxy]ethoxy]phenoxy]-methylphosphinic acid
- English name
- 1,5-((3,3'-dimethylphosphate)diphenoxy)-3-oxapentane
- Molecular formula
- C18H24O9P2
- Molecular weight
- 446.325282
Names & synonyms
DDOP1,5-((3,3'-Dimethylphosphate)diphenoxy)-3-oxapentane71787-59-2DTXSID20222000RefChem:73421DTXCID80144491[2-[2-[2-[2-[hydroxy(methyl)phosphoryl]oxyphenoxy]ethoxy]ethoxy]phenoxy]-methylphosphinic acidSCHEMBL29494598Phosphonic acid, methyl-, oxybis(2,1-ethanediyloxy-2,1-phenylene) ester{[Oxybis(ethane-2,1-diyl)oxy]-2,1-phenylene} bis[hydrogen methyl(phosphonate)]
Database identifiers
- CAS
71787-59-2- PubChem CID
- 126337
- DTXSID
DTXSID20222000
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 526
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Related reactions
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Compound notes
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