Basic information
- CAS
77304-63-3- Standard SMILES
CCCCCCOP(C)(=O)OCCCCCC- InChIKey
XMEOPSOYUNXCJQ-UHFFFAOYSA-N- Molecular formula
- C13H29O3P
- Average molar mass
- 264.34 g/mol
- Monoisotopic mass
- 264.18543178
Names & identifiers
- Preferred name
- Phosphonic acid, methyl-, dihexyl ester
- IUPAC
- 1-[hexoxy(methyl)phosphoryl]oxyhexane
- English name
- Methylphosphonic acid dihexyl ester
- Molecular formula
- C13H29O3P
- Molecular weight
- 264.34
Names & synonyms
Phosphonic acid, methyl-, dihexyl ester77304-63-3Phosphonic acid, methyl-, o,o-dihexyl esterDTXSID50335031Methylphosphonic acid, dihexyl esterPhosphonic acid, P-methyl-, dihexyl esterRefChem:370577DTXCID00286120XMEOPSOYUNXCJQ-UHFFFAOYSA-NDihexyl methylphosphonateSCHEMBL6625591SCHEMBL6625594
Show more names
Methylphosphonic acid dihexyl ester
Database identifiers
- CAS
77304-63-3- PubChem CID
- 522658
- DTXSID
DTXSID50335031- Nikkaji
- J308.170B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 189
Experimental & physicochemical properties
LogP4.29
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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