11-(2,5-Dimethylcyclohexyl)heneicosane
Basic information
- CAS
55429-27-1- Standard SMILES
CCCCCCCCCCC(CCCCCCCCCC)C1CC(C)CCC1C- InChIKey
UPYOZECJBFFKFT-UHFFFAOYSA-N- Molecular formula
- C29H58
- Average molar mass
- 406.8 g/mol
- Monoisotopic mass
- 406.45385185
Names & identifiers
- Preferred name
- 11-(2,5-Dimethylcyclohexyl)heneicosane
- IUPAC
- 2-henicosan-11-yl-1,4-dimethylcyclohexane
- English name
- 2-(1-Decylundecyl)-1,4-dimethylcyclohexane
- Molecular formula
- C29H58
- Molecular weight
- 406.77
Names & synonyms
11-(2,5-Dimethylcyclohexyl)heneicosane55429-27-12-(1-Decylundecyl)-1,4-dimethylcyclohexaneCyclohexane, 2-(1-decylundecyl)-1,4-dimethyl-NSC1667872-(henicosan-11-yl)-1,4-dimethylcyclohexaneDTXSID10304682UPYOZECJBFFKFT-UHFFFAOYSA-NNSC-166787DB-3232002-(1-Decylundecyl)-1,4-dimethylcyclohexane #
Database identifiers
- CAS
55429-27-1- PubChem CID
- 296569
- DTXSID
DTXSID10304682- Nikkaji
- J113.348I
Properties
Computed structural properties
- XLogP
- 14.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 19
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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