Basic information
- CAS
6301-09-3- Standard SMILES
CC(C)CC(CC(C)C)OP(=O)(O)O- InChIKey
ZTZKGWZFTOOGKT-UHFFFAOYSA-N- Molecular formula
- C9H21O4P
- Average molar mass
- 224.23 g/mol
- Monoisotopic mass
- 224.11774614
Names & identifiers
- Preferred name
- 2,6-Dimethylheptan-4-yl dihydrogen phosphate
- IUPAC
- 2,6-dimethylheptan-4-yl dihydrogen phosphate
Names & synonyms
6301-09-32,6-dimethylheptan-4-yl dihydrogen phosphate2,6-dimethylheptan-4-yloxyphosphonic acidNSC44154SCHEMBL27302689DTXSID10286196NSC-44154
Database identifiers
- CAS
6301-09-3- PubChem CID
- 239244
- DTXSID
DTXSID10286196
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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