2,6-Dimethyl-3-(propan-2-yl)heptane
Basic information
- CAS
62185-45-9- Standard SMILES
CC(C)CCC(C(C)C)C(C)C- InChIKey
NOAGKIODSFDOTA-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-(propan-2-yl)heptane
- IUPAC
- 2,6-dimethyl-3-propan-2-ylheptane
Names & synonyms
62185-45-92,6-Dimethyl-3-(propan-2-yl)heptaneDTXSID80608765RefChem:1060267DTXCID40559522SCHEMBL9535042SCHEMBL113208033-isopropyl-2,6-dimethyl-heptane2,6-dimethyl-3-(1-methylethyl)heptane
Database identifiers
- CAS
62185-45-9- PubChem CID
- 20563151
- DTXSID
DTXSID80608765
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 92.6
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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