1,2-Campholide
PubChem CID: 274476
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| Compound Synonyms | 1,2-Campholide, 1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one, 1126-91-6, CHEBI:488, DTXSID10920841, 1,8,8-Trimethyl-2-oxabicyclo(3.2.1)octan-3-one, C02108, 2-Oxabicyclo[3.2.1]octan-3-one,1,8,8-trimethyl-, SCHEMBL5987624, AXRMSBLBSHJLGO-UHFFFAOYSA-N, DTXCID201349744, NSC120532, LMPR0102120043, NSC-120532, DS-004314, Q27105303, xi-1,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one, 1,8,8-trimethyl-2-oxa-bicyclo [3,2,1] octane-3-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | AXRMSBLBSHJLGO-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2-Campholide |
| Heavy Atom Count | 12.0 |
| Compound Name | 1,2-Campholide |
| Description | 1,2-campholide is a member of the class of compounds known as lactones. Lactones are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Thus, 1,2-campholide is considered to be an isoprenoid lipid molecule. 1,2-campholide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-campholide can be found in herbs and spices, which makes 1,2-campholide a potential biomarker for the consumption of this food product. |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3 |
| Smiles | CC1(C2CCC1(OC(=O)C2)C)C |
| Xlogp | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H16O2 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all