Basic information
- CAS
66983-02-6- Standard SMILES
C=CC(=O)O.C=COCCCCCC(C)C- InChIKey
UINWZLARGLZXMI-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- 1-Ethenoxy-6-methylheptane;prop-2-enoic acid
- IUPAC
- 1-ethenoxy-6-methylheptane;prop-2-enoic acid
Database identifiers
- CAS
66983-02-6- PubChem CID
- 3050737
- DTXSID
DTXSID30217189
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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