Basic information
- CAS
1617-24-9- Standard SMILES
C=CCC(=O)OCCCCCC- InChIKey
NSYNOHXVZCEBTM-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 3-Butenoic acid, hexyl ester
- IUPAC
- hexyl but-3-enoate
Names & synonyms
3-Butenoic acid, hexyl ester1617-24-9DTXSID20336050RefChem:93289DTXCID20287139NSYNOHXVZCEBTM-UHFFFAOYSA-NHexyl 3-butenoatehexyl but-3-enoateSCHEMBL27952097
Database identifiers
- CAS
1617-24-9- PubChem CID
- 528705
- DTXSID
DTXSID20336050
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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