Basic information
- CAS
4230-32-4- Standard SMILES
CC12CC(=O)C(CC1=O)C2(C)C- InChIKey
UDIUFGIXIGLRSM-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Overview
Bornane-2,5-dione is a bornane monoterpenoid.
Names & identifiers
- Preferred name
- 1,7,7-Trimethylbicyclo(2.2.1)heptane-2,5-dione
- IUPAC
- 1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione
- English name
- Bicyclo[2.2.1]heptane-2,5-d
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
1,7,7-Trimethylbicyclo[2.2.1]heptane-2,5-dioneDTXSID009624171,7,7-TRIMETHYLBICYCLO(2.2.1)HEPTANE-2,5-DIONERefChem:1053557DTXCID4013902242,5-Bornanedionebornane-2,5-dione4230-32-42,5-Diketocamphane2,5-Dioxocamphane(+)-Bornane-2,5-dioneBICYCLO[2.2.1]HEPTANE-2,5-D
Show more names
5-Oxocamphor5-Oxo-camphor
Bicyclo(2.2.1)heptane-2,5-dione, 1,7,7-trimethyl-Bicyclo[2.2.1]heptane-2,5-dione, 1,7,7-trimethyl-SCHEMBL1896711CHEBI:36775UDIUFGIXIGLRSM-UHFFFAOYSA-NSBB039431AKOS000267586LMPR0102120008
Database identifiers
- CAS
4230-32-4- PubChem CID
- 20218
- DTXSID
DTXSID00962417- ChEBI
CHEBI:36775- Nikkaji
- J100.231G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Physicochemical properties
- Melting point
- 209 · 209-210 °C
- Boiling point
- 248 °C · 248 °C
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Additional notes
DefinitionChEBI: Bornane-2,5-dione is a bornane monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…