Octan-3-yl 2-methylbut-2-enoate
Basic information
- CAS
2307905-87-7- Standard SMILES
CC=C(C)C(=O)OC(CC)CCCCC- InChIKey
LMBAQNNBRWRROG-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- Octan-3-yl 2-methylbut-2-enoate
- IUPAC
- octan-3-yl 2-methylbut-2-enoate
Names & synonyms
Octan-3-yl 2-methylbut-2-enoateSCHEMBL1848651DTXSID6010261122307905-87-7
Database identifiers
- CAS
2307905-87-7- PubChem CID
- 4093587
- DTXSID
DTXSID601026112
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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