7,8-Dihexadecoxy-2,2,4-trimethylchromene
Basic information
- CAS
71404-90-5- Standard SMILES
CCCCCCCCCCCCCCCCOc1ccc2c(c1OCCCCCCCCCCCCCCCC)OC(C)(C)C=C2C- InChIKey
GFICIIDRTSFUBD-UHFFFAOYSA-N- Molecular formula
- C44H78O3
- Average molar mass
- 655.1 g/mol
- Monoisotopic mass
- 654.59509635
Names & identifiers
- Preferred name
- 7,8-Dihexadecoxy-2,2,4-trimethylchromene
- IUPAC
- 7,8-dihexadecoxy-2,2,4-trimethylchromene
Names & synonyms
71404-90-57,8-dihexadecoxy-2,2,4-trimethylchromeneNSC295434DTXSID60315561NSC-2954347,8-Bis(hexadecyloxy)-2,2,4-trimethyl-2H-1-benzopyran
Database identifiers
- CAS
71404-90-5- PubChem CID
- 325864
- DTXSID
DTXSID60315561
Properties
Computed structural properties
- XLogP
- 18.2
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 32
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 730
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Compound notes
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