3-Ethyl-3,4,5-trimethylheptane
Basic information
- CAS
62198-78-1- Standard SMILES
CCC(C)C(C)C(C)(CC)CC- InChIKey
ZHILUIHUWKDTTM-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Names & identifiers
- Preferred name
- 3-Ethyl-3,4,5-trimethylheptane
- IUPAC
- 3-ethyl-3,4,5-trimethylheptane
Names & synonyms
3,4,5-Trimethyl, 5-ethyl, heptane, a3-ethyl-3,4,5-trimethylheptane62198-78-13,4,5-Trimethyl- 5-ethyl-heptane, bSCHEMBL17607537DTXSID30335690
Database identifiers
- CAS
62198-78-1- PubChem CID
- 526428
- DTXSID
DTXSID30335690
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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