Basic information
- CAS
7667-55-2- Standard SMILES
CC1[C@H](C)CCC[C@H]1C- InChIKey
DQTVJLHNWPRPPH-HTQZYQBOSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- Cyclohexane, 1,2,3-trimethyl-, cis-1,2,trans-1,3-
- IUPAC
- trans-(1R,3R)-1,2,3-trimethylcyclohexane
Names & synonyms
Cyclohexane, 1,2,3-trimethyl-, cis-1,2,trans-1,3-1alpha,2alpha,3beta-trimethylcyclohexaneCyclohexane, 1,2,3-trimethyl-, (1.alpha.,2.alpha.,3.beta.)-SCHEMBL5987861,2,3-Trimethylcyclohexane #Cyclohexane, 1,2,3-trimethyl-, (1alpha,2alpha,3beta)-DQTVJLHNWPRPPH-HTQZYQBOSA-NLMFA11000639NSC 73966r-1, c-2, t-3-trimethylcyclohexane1,cis-2,trans-3-Trimethylcyclohexanecis,trans-1,2,3-Trimethylcyclohexane
Show more names
Cyclohexane, 1,2,3-trimethyl-, cis,trans-
Database identifiers
- CAS
7667-55-2- PubChem CID
- 24317
- Nikkaji
- J231.751F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 76
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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