3,3-Dimethylundecane
Basic information
- CAS
17312-65-1- Standard SMILES
CCCCCCCCC(C)(C)CC- InChIKey
OCXNLUFNCUMHLN-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 3,3-Dimethylundecane
- IUPAC
- 3,3-dimethylundecane
- English name
- 3,3-Dimethylundecane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
3,3-DIMETHYLUNDECANEUndecane, 3,3-dimethyl-17312-65-13-Dimethylundecan3,3-Dimethylundecane #SCHEMBL3341692SCHEMBL3341694SCHEMBL8008366SCHEMBL10704890SCHEMBL11250821SCHEMBL28154743DTXSID60169526
Database identifiers
- CAS
17312-65-1- PubChem CID
- 28470
- DTXSID
DTXSID60169526- Nikkaji
- J125.240B
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 224.9 · 224.9±7.0 °C(Predicted)
- Density
- 0.758 · 0.758±0.06 g/cm3(Predicted)
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Compound notes
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