Basic information
- Standard SMILES
COC(=O)C1(CI)CCOCC1- InChIKey
NZVRWUTWRQTXNK-UHFFFAOYSA-N- Molecular formula
- C8H13IO3
- Average molar mass
- 284.09 g/mol
Names & identifiers
- Preferred name
- 4-Iodomethyl-tetrahydro-pyran-4-carboxylic acid methyl ester
- IUPAC
- methyl 4-(iodomethyl)oxane-4-carboxylate
Names & synonyms
SCHEMBL6731550NZVRWUTWRQTXNK-UHFFFAOYSA-N4-IODOMETHYL-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID METHYL ESTERMethyl 4-iodomethyl-tetrahydropyran-4-carboxylate4-Iodomethyltetrahydropyran-4-carboxylic acid methyl ester4-Iodomethyl-tetrahydro-pyran-4-carboxylic-acid methyl ester
Database identifiers
- PubChem CID
- 22719788
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Related reactions
16 records
Compound notes
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