Basic information
- CAS
133709-17-8- Standard SMILES
CC1(C)OC(=O)C(C2(c3ccccc3)C3CC4CC(C3)CC2C4)C(=O)O1- InChIKey
LDRNKJOOUVVSBD-UHFFFAOYSA-N- Molecular formula
- C22H26O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.18310931
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-(2-phenyl-2-adamantyl)-1,3-dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-(2-phenyl-2-adamantyl)-1,3-dioxane-4,6-dione
- English name
- 2,2-dimethyl-5-(2-phenyl-2-adamantyl)-1,3-dioxane-4,6-dione
- Molecular formula
- C22H26O4
- Molecular weight
- 354.44
Names & synonyms
133709-17-82,2-dimethyl-5-(2-phenyl-2-adamantyl)-1,3-dioxane-4,6-dione2,2-dimethyl-5-(2-phenyladamantan-2-yl)-1,3-dioxane-4,6-dioneMFCD01936023Oprea1_297188AKOS00507412610D-505AD-266/418847481,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(2-phenyltricyclo[3.3.1.13,7]dec-2-yl)-2,2-Dimethyl-5-(2-phenyltricyclodecan-2-yl)-1,3-dioxane-4,6-dione
Database identifiers
- CAS
133709-17-8- PubChem CID
- 2764790
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Ryan Scientific, Inc.[email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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