4-(Iodomethyl)-8-methyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
Basic information
- CAS
7464-35-9- Standard SMILES
CC1OC(c2ccccc2)OC2C(CI)OC(c3ccccc3)OC12- InChIKey
DCXXMKFQOGLTAU-UHFFFAOYSA-N- Molecular formula
- C20H21IO4
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 452.04846
Names & identifiers
- Preferred name
- 4-(Iodomethyl)-8-methyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
- IUPAC
- 4-(iodomethyl)-8-methyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
Names & synonyms
7464-35-9NSC403973DTXSID20323420NSC-4039734-(Iodomethyl)-8-methyl-2,6-diphenyltetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxine
Database identifiers
- CAS
7464-35-9- PubChem CID
- 345987
- DTXSID
DTXSID20323420
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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