Dimethyl hexylphosphonate
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Basic information
- Standard SMILES
CCCCCCP(=O)(OC)OC- InChIKey
IUZXGJKDSGEWCQ-UHFFFAOYSA-N- Molecular formula
- C8H19O3P
- Average molar mass
- 194.21 g/mol
- Monoisotopic mass
- 194.10718146
Names & identifiers
- Preferred name
- Dimethyl hexylphosphonate
- IUPAC
- 1-dimethoxyphosphorylhexane
Names & synonyms
Dimethyl hexylphosphonateNSC6273771-dimethoxyphosphorylhexaneSCHEMBL1725939CHEMBL1990349SCHEMBL22750760MFCD30063028NSC-6273776172-92-5NCI60_008698
Database identifiers
- PubChem CID
- 362902
- ChEMBL
CHEMBL1990349
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
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Compound notes
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