Basic information
- CAS
62198-97-4- Standard SMILES
CCC(CC)CC(C)(CC)CC- InChIKey
RGRSPNWZJFXFAN-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Names & identifiers
- Preferred name
- 3-Methyl, 3,5-diethyl, heptane
- IUPAC
- 3,5-diethyl-3-methylheptane
Names & synonyms
3-methyl, 3,5-diethyl, heptane62198-97-4DTXSID70335694RefChem:1068149DTXCID202867833,5-diethyl-3-methylheptaneSCHEMBL7917847SCHEMBL7917851SCHEMBL8421787SCHEMBL8583585SCHEMBL15972084
Database identifiers
- CAS
62198-97-4- PubChem CID
- 526432
- DTXSID
DTXSID70335694
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 96.6
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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