Carbonic acid, hexyl 3-(p-iodophenyl)butyl ester
Basic information
- CAS
60075-84-5- Standard SMILES
CCCCCCOC(=O)OCCC(C)c1ccc(I)cc1- InChIKey
CSNJHTNBRRBHSS-UHFFFAOYSA-N- Molecular formula
- C17H25IO3
- Average molar mass
- 404.3 g/mol
- Monoisotopic mass
- 404.08484
Names & identifiers
- Preferred name
- Carbonic acid, hexyl 3-(p-iodophenyl)butyl ester
- IUPAC
- hexyl 3-(4-iodophenyl)butyl carbonate
- English name
- Hexyl 3-(p-iodophenyl)butyl=carbonate
- Molecular formula
- C17H25IO3
- Molecular weight
- 404.28
Names & synonyms
60075-84-5CARBONIC ACID, HEXYL 3-(p-IODOPHENYL)BUTYL ESTERRefChem:1081221hexyl 3-(4-iodophenyl)butyl carbonateBRN 1996545n-Hexyl 3-(p-iodophenyl)butyl carbonateDTXSID40975506Hexyl 3-(p-iodophenyl)butyl=carbonateCarbonic acid, hexyl 3-(4-iodophenyl)butyl ester
Database identifiers
- CAS
60075-84-5- PubChem CID
- 43209
- DTXSID
DTXSID40975506- Nikkaji
- J72.608G
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 275
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Related reactions
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Compound notes
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