Carbonic acid, 2-ethylhexyl p-iodobenzyl ester
Basic information
- CAS
60075-72-1- Standard SMILES
CCCCC(CC)COC(=O)OCc1ccc(I)cc1- InChIKey
ZMRCGCQZTPUXRF-UHFFFAOYSA-N- Molecular formula
- C16H23IO3
- Average molar mass
- 390.26 g/mol
- Monoisotopic mass
- 390.06919
Names & identifiers
- Preferred name
- Carbonic acid, 2-ethylhexyl p-iodobenzyl ester
- IUPAC
- 2-ethylhexyl (4-iodophenyl)methyl carbonate
- English name
- Carbonic acid 2-ethylhexyl p-iodobenzyl ester
- Molecular formula
- C16H23IO3
- Molecular weight
- 390.26
Names & synonyms
60075-72-1CARBONIC ACID, 2-ETHYLHEXYL p-IODOBENZYL ESTERRefChem:1081214Carbonic acid, 2-ethylhexyl (4-iodophenyl)methyl ester2-Ethylhexyl-p-iodobenzyl carbonateBRN 19849022-ethylhexyl (4-iodophenyl)methyl carbonateCarbonic acid 2-ethylhexyl p-iodobenzyl esterDTXSID00975502DB-297092
Database identifiers
- CAS
60075-72-1- PubChem CID
- 43200
- DTXSID
DTXSID00975502- Nikkaji
- J68.716B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Density
- 1.375 · 1.3750 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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