Basic information
- CAS
473-62-1- Standard SMILES
C[C@H]1C(=O)C[C@@H]2C[C@H]1C2(C)C- InChIKey
MQPHVIPKLRXGDJ-GJMOJQLCSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- IUPAC
- (1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- English name
- [1R-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
(+)-Pinanone473-62-1(1R,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one(+)-IsopinocamphoneIsopinocamphone, (+)-(1R,2R,5S)-IsopinocamphoneEINECS 207-469-2MFCD31630144(1R-(1alpha,2beta,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-one[1R-(1alpha,2beta,5alpha)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one(E)-PinanoneSCHEMBL12501646
Show more names
(1R,5S)-2β,6,6-Trimethylbicyclo[3.1.1]heptan-3-one(1R,2R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-one(1R,1α,5α)-2β,6,6-Trimethylbicyclo[3.1.1]heptan-3-oneBicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-
DTXSID201315632AC6197SY224505(1R,2R,5S)-2,6,6-trimethylnorpinan-3-one
Database identifiers
- CAS
473-62-1- PubChem CID
- 10329459
- DTXSID
DTXSID201315632
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Kovats Retention Index
1184；1171；1175；1177；1169
1555
Physicochemical properties
- Boiling point
- 78 °C · 78 °C(Press: 7 Torr)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. camphoreous borneol spruce needle terpineol like
- Odor Type
- camphoreous
- LogP
- 2.343 · 2.343 (est)
Chemistry & industry
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
BOC Sciences[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海酉客默科技有限公司021-58380326 13585932672
Related reactions
1 records
Compound notes
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