Basic information
- CAS
31147-56-5- Standard SMILES
C[C@@H]1CC[C@@](C)(C(=O)O)C1(C)C- InChIKey
JDFOIACPOPEQLS-XCBNKYQSSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- (1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
- IUPAC
- trans-(1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
- English name
- D-CAMPHOLIC ACID
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
31147-56-5(1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acidQ63409019D-CAMPHOLIC ACID1,2,2,3-Tetramethylcyclopentanecarboxylic acid(1R,3R)-1,2,2,3-Tetramethylcyclopentanecarboxylic acidD-trans-1,2,2,3-Tetramethylcyclopentanecarboxylic acid(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acidCyclopentanecarboxylic acid, 1,2,2,3-tetramethyl-, (1R,3R)-[1R,(+)]-1,2,2,3α-Tetramethylcyclopentane-1β-carboxylic acid
Database identifiers
- CAS
31147-56-5- PubChem CID
- 7054087
- Nikkaji
- J17.419J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 248.387 · 248.387±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.031 · 5.031±0.60(predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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