5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Basic information
- CAS
51757-47-2- Standard SMILES
CC1(C)OC(=O)C(=C2C3CC4CC(C3)CC2C4)C(=O)O1- InChIKey
SIYYOHROEIZBBC-UHFFFAOYSA-N- Molecular formula
- C16H20O4
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.13615911
Names & identifiers
- Preferred name
- 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C16H20O4
- Molecular weight
- 276.33
Names & synonyms
51757-47-25-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneDTXSID00352430RefChem:299370DTXCID303034955-(adamantan-2-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione2,2-dimethyl-5-tricyclo[3.3.1.1~3,7~]dec-2-yliden-1,3-dioxane-4,6-dioneMFCD00167792Oprea1_495578SCHEMBL3023696SIYYOHROEIZBBC-UHFFFAOYSA-NHMS1661P19
Show more names
5-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,65-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 99%1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(tricyclo[3.3.1.13,7]dec-2-ylidene)-
AKOS005074124CCG-23323610D-5005-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6 dione5-(2-Adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 99%2,2-Dimethyl-5-(tricyclo[3.3.1.1~3,7~]decan-2-ylidene)-1,3-dioxane-4,6-dione5-(2-ADAMANTYLIDENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE;5-(2-adamantylidene)-2,2-dimethyl-1,3-dioxane-4,6
Database identifiers
- CAS
51757-47-2- PubChem CID
- 726475
- DTXSID
DTXSID00352430- Nikkaji
- J2.219.138A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Melting point
- 207 · 207-208 °C (lit.)
- Boiling point
- 495.1 · 495.1±38.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- InChI
- 1S/C16H20O4/c1-16(2)19-14(17)13(15(18)20-16)12-10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11+
- InChIKey
- SIYYOHROEIZBBC-DTIDVZRVSA-N
- SMILES
- CC1(C)OC(=O)C(\C(=O)O1)=C2\C3CC4CC(C3)CC2C4
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 23 · NA.23
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
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Related reactions
1 records
Compound notes
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