3-(1-Adamantyl)-2,4-pentanedione
Completing data — refresh the page later to see the latest
Basic information
- CAS
102402-84-6- Standard SMILES
CC(=O)C(C(C)=O)C12CC3CC(CC(C3)C1)C2- InChIKey
QYCOSPWVQKZONV-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 3-(1-Adamantyl)-2,4-pentanedione
- IUPAC
- 3-(1-adamantyl)pentane-2,4-dione
- English name
- 3-(1-ADAMANTYL)PENTANE-2,4-DIONE
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33
Names & synonyms
102402-84-63-(1-Adamantyl)-2,4-pentanedioneDTXSID50342801RefChem:273166DTXCID702938813-(1-adamantyl)pentane-2,4-dione3-(adamantan-1-yl)pentane-2,4-dioneMFCD022588913-adamantanylpentane-2,4-dione2,4-pentanedione, 3-tricyclo[3.3.1.1~3,7~]dec-1-yl-2,4-Pentanedione, 3-tricyclo[3.3.1.13,7]dec-1-yl-QYCOSPWVQKZONV-UHFFFAOYSA-N
Show more names
3-(1-adamantyl)pentane-2,4-dione(SALTDATA: FREE)
ALBB-013864SBB017452AKOS0041203393-(1-Adamantyl)-2,4-pentanedione #Pentane-2,4-dione, 3-(1-adamantyl)-BS-35603ST078445H30520
Database identifiers
- CAS
102402-84-6- PubChem CID
- 584545
- DTXSID
DTXSID50342801
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 55 · 55-56℃
- Boiling point
- 335.9 · 335.9±15.0 °C(Predicted)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- pka
- 10.51 · 10.51±0.20(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…