Basic information
- CAS
36097-36-6- Standard SMILES
CC(C)CC(C)OC(=O)C(C)Cl- InChIKey
CBYQAAWNRMIVTQ-UHFFFAOYSA-N- Molecular formula
- C9H17ClO2
- Average molar mass
- 192.68 g/mol
- Monoisotopic mass
- 192.0917075
Names & identifiers
- Preferred name
- 4-Methylpentan-2-yl 2-chloropropanoate
- IUPAC
- 4-methylpentan-2-yl 2-chloropropanoate
Names & synonyms
36097-36-64-methylpentan-2-yl 2-chloropropanoateNSC404493SCHEMBL4870683DTXSID70323632NSC-404493
Database identifiers
- CAS
36097-36-6- PubChem CID
- 346299
- DTXSID
DTXSID70323632
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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