2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate
Basic information
- CAS
73825-58-8- Standard SMILES
CCOP(=O)(OCC)C(OC(=O)CC(C)C)C(Cl)(Cl)Cl- InChIKey
KSMCJXOIPNBPIJ-UHFFFAOYSA-N- Molecular formula
- C11H20Cl3O5P
- Average molar mass
- 369.6 g/mol
- Monoisotopic mass
- 368.011394
Names & identifiers
- Preferred name
- 2,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoate
- IUPAC
- (2,2,2-trichloro-1-diethoxyphosphorylethyl) 3-methylbutanoate
- English name
- 2,2,2-Trichloro-1-(isovaleryloxy)ethylphosphonic acid diethyl ester
- Molecular formula
- C11H20Cl3O5P
- Molecular weight
- 369.61
Names & synonyms
73825-58-8DTXSID209948962,2,2-Trichloro-1-(diethoxyphosphoryl)ethyl 3-methylbutanoateRefChem:1058934DTXCID501421927Phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, diethyl ester, isovalerateO,O-Diethyl 2,2,2-trichloro-1-isovaleryloxyethyl phosphonateISOVALERIC ACID, ESTER with DIETHYL (2,2,2-TRICHLORO-1-HYDROXYETHYL)PHOSPHONATE2,2,2-Trichloro-1-(isovaleryloxy)ethylphosphonic acid diethyl esterButanoic acid, 3-methyl-, 2,2,2-trichloro-1-(diethoxyphosphinyl)ethyl ester
Database identifiers
- CAS
73825-58-8- PubChem CID
- 52618
- DTXSID
DTXSID20994896- Nikkaji
- J94.709A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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