3-Methoxybutyl pentanoate
Basic information
- CAS
5451-89-8- Standard SMILES
CCCCC(=O)OCCC(C)OC- InChIKey
GAYOORNFVBPOLM-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- 3-Methoxybutyl pentanoate
- IUPAC
- 3-methoxybutyl pentanoate
Names & synonyms
3-methoxybutyl pentanoate5451-89-8DTXSID40281518RefChem:280504DTXCID50232672GAYOORNFVBPOLM-UHFFFAOYSA-NNSC21874SCHEMBL29108048NSC-21874
Database identifiers
- CAS
5451-89-8- PubChem CID
- 228754
- DTXSID
DTXSID40281518
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
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Related reactions
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Compound notes
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