Basic information
- CAS
2452-70-2- Standard SMILES
CC(C)CCOP(C)(=O)OCCC(C)C- InChIKey
YXHUEGLTOGMNPE-UHFFFAOYSA-N- Molecular formula
- C11H25O3P
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.15413165
Names & identifiers
- Preferred name
- Phosphonic acid, methyl-, bis(3-methylbutyl) ester
- IUPAC
- 3-methyl-1-[methyl(3-methylbutoxy)phosphoryl]oxybutane
Names & synonyms
2452-70-2Phosphonic acid, P-methyl-, bis(3-methylbutyl) esterDiisopentyl methylphosphonatePhosphonic acid, methyl-, bis(3-methylbutyl) esterBIS(3-METHYLBUTYL) METHYLPHOSPHONATEdiisoamyl methylphosphonateSCHEMBL11053695DTXSID90334260Methyl-phosphonic acid diisopentyl esterMethylphosphonic acid di-(3-methylbutyl) esterPhosphonic acid, methyl-, o,o-diisopentyl ester
Database identifiers
- CAS
2452-70-2- PubChem CID
- 520135
- DTXSID
DTXSID90334260- Nikkaji
- J694.805G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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