Basic information
- CAS
60075-80-1- Standard SMILES
CCCCCCOC(=O)OCCCc1ccc(I)cc1- InChIKey
KQOKRJDDYJLNCW-UHFFFAOYSA-N- Molecular formula
- C16H23IO3
- Average molar mass
- 390.26 g/mol
- Monoisotopic mass
- 390.06919
Names & identifiers
- Preferred name
- Carbonic acid, hexyl 3-(p-iodophenyl)propyl ester
- IUPAC
- hexyl 3-(4-iodophenyl)propyl carbonate
- English name
- Hexyl[3-(p-iodophenyl)propyl] =carbonate
- Molecular formula
- C16H23IO3
- Molecular weight
- 390.26
Names & synonyms
BRN 1988977CARBONIC ACID, HEXYL 3-(p-IODOPHENYL)PROPYL ESTERn-Hexyl 3-(p-iodophenyl)propyl carbonate60075-80-1DTXSID90208811RefChem:333409DTXCID40131302hexyl 3-(4-iodophenyl)propyl carbonateHexyl[3-(p-iodophenyl)propyl] =carbonateCarbonic acid, hexyl 3-(4-iodophenyl)propyl ester
Database identifiers
- CAS
60075-80-1- PubChem CID
- 43205
- DTXSID
DTXSID90208811- Nikkaji
- J72.610I
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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