Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester
Basic information
- CAS
113962-04-2- Standard SMILES
CCOC(=O)C1CCC(I)CC1C- InChIKey
VCYRCZHXDDPHQG-UHFFFAOYSA-N- Molecular formula
- C10H17IO2
- Average molar mass
- 296.14 g/mol
- Monoisotopic mass
- 296.02733
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl ester
- IUPAC
- ethyl 4-iodo-2-methylcyclohexane-1-carboxylate
Names & synonyms
113962-04-2Cyclohexanecarboxylic acid, 4-iodo-2-methyl-, ethyl esterDTXSID60340575RefChem:335350DTXCID80291656ethyl 4-iodo-2-methylcyclohexane-1-carboxylateCyclohexane carboxylic acid, 4-iodo-trans-2-methyl-VCYRCZHXDDPHQG-UHFFFAOYSA-NEthyl 4-iodo-2-methylcyclohexanecarboxylate #
Database identifiers
- CAS
113962-04-2- PubChem CID
- 565748
- DTXSID
DTXSID60340575- Nikkaji
- J596.017G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
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Compound notes
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