(1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate
Basic information
- CAS
5460-49-1- Standard SMILES
C=CCOCC(CCl)OC(=O)CCC- InChIKey
YYFNDQGOXHSBOB-UHFFFAOYSA-N- Molecular formula
- C10H17ClO3
- Average molar mass
- 220.69 g/mol
- Monoisotopic mass
- 220.0866221
Names & identifiers
- Preferred name
- (1-Chloro-3-prop-2-enoxypropan-2-yl) butanoate
- IUPAC
- (1-chloro-3-prop-2-enoxypropan-2-yl) butanoate
Names & synonyms
5460-49-11-(Allyloxy)-3-chloropropan-2-yl butyrate(1-chloro-3-prop-2-enoxypropan-2-yl) butanoateNSC21841DTXSID30281502NSC-218411-Chloro-3-[(prop-2-en-1-yl)oxy]propan-2-yl butanoate
Database identifiers
- CAS
5460-49-1- PubChem CID
- 228733
- DTXSID
DTXSID30281502
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…