4,5-Dimethylundecane
Basic information
- CAS
17312-79-7- Standard SMILES
CCCCCCC(C)C(C)CCC- InChIKey
MYUGNKWRNJTZRU-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 4,5-Dimethylundecane
- IUPAC
- 4,5-dimethylundecane
- English name
- 4,5-Dimethylundecane
- Molecular weight
- 0
Names & synonyms
4,5-DIMETHYLUNDECANEUndecane, 4,5-dimethyl-17312-79-74,5-Dimethylundecane #SCHEMBL22982430SCHEMBL28154772DTXSID70938326
Database identifiers
- CAS
17312-79-7- PubChem CID
- 28475
- DTXSID
DTXSID70938326- Nikkaji
- J125.219D
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 96.2
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Compound notes
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