Basic information
- CAS
83121-13-5- Standard SMILES
CCCCCC(C)(CC)C(=O)OCC1CO1- InChIKey
WWLCIARIZCNJPT-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- (Oxiran-2-yl)methyl 2-ethyl-2-methylheptanoate
- IUPAC
- oxiran-2-ylmethyl 2-ethyl-2-methylheptanoate
Names & synonyms
83121-13-5(Oxiran-2-yl)methyl 2-ethyl-2-methylheptanoateSCHEMBL10773349DTXSID40603357
Database identifiers
- CAS
83121-13-5- PubChem CID
- 20189712
- DTXSID
DTXSID40603357
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…