Basic information
- CAS
17312-46-8- Standard SMILES
CCCCCC(C)C(C)CCC- InChIKey
QZFIIEYSHODCSV-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Names & identifiers
- Preferred name
- Decane, 4,5-dimethyl-
- IUPAC
- 4,5-dimethyldecane
Names & synonyms
4,5-dimethyldecaneDecane, 4,5-dimethyl-Decane, 4,5-dimethyl17312-46-8SCHEMBL159289SCHEMBL750216SCHEMBL1973295SCHEMBL17182195SCHEMBL28161030DTXSID70938321
Database identifiers
- CAS
17312-46-8- PubChem CID
- 528476
- DTXSID
DTXSID70938321
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 86
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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