Basic information
- CAS
96044-28-9- Standard SMILES
CC(C)(C)OC(=O)CCCCCCCCCCI- InChIKey
ZMRVNBCQAGHPHU-UHFFFAOYSA-N- Molecular formula
- C15H29IO2
- Average molar mass
- 368.29 g/mol
- Monoisotopic mass
- 368.12123
Names & identifiers
- Preferred name
- tert-Butyl 11-iodoundecanoate
- IUPAC
- tert-butyl 11-iodoundecanoate
Names & synonyms
tert-Butyl 11-iodoundecanoate96044-28-9DTXSID2033790611-Iodoundecanoic acid, t-butyl esterRefChem:383114DTXCID10288993ZMRVNBCQAGHPHU-UHFFFAOYSA-NSCHEMBL9862468tert-Butyl 11-iodoundecanoate #
Database identifiers
- CAS
96044-28-9- PubChem CID
- 545462
- DTXSID
DTXSID20337906
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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