(1-Chloro-3-prop-2-enoxypropan-2-yl) 2-methylpropanoate
Basic information
- CAS
5451-62-7- Standard SMILES
C=CCOCC(CCl)OC(=O)C(C)C- InChIKey
AMLQYMDFIMMIAW-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) 2-methylpropanoate
- IUPAC
- (1-chloro-3-prop-2-enoxypropan-2-yl) 2-methylpropanoate
Names & synonyms
5451-62-7(1-chloro-3-prop-2-enoxypropan-2-yl) 2-methylpropanoateNSC21842DTXSID90281503NSC-218421-Chloro-3-[(prop-2-en-1-yl)oxy]propan-2-yl 2-methylpropanoate
Database identifiers
- CAS
5451-62-7- PubChem CID
- 228734
- DTXSID
DTXSID90281503
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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