Ctk2G4426
Basic information
- CAS
79194-63-1- Standard SMILES
CC[C@@H](CC(=O)OC)C(C)C- InChIKey
TWZULJKZBGIFOI-QMMMGPOBSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- Ctk2G4426
- IUPAC
- methyl (3S)-3-ethyl-4-methylpentanoate
Names & synonyms
CTK2G442679194-63-1DTXSID40466444RefChem:334752DTXCID30417263methyl (3S)-3-ethyl-4-methylpentanoate
Database identifiers
- CAS
79194-63-1- PubChem CID
- 11457828
- DTXSID
DTXSID40466444- Nikkaji
- J1.576.170I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
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Related reactions
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Compound notes
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