Basic information
- CAS
57840-69-4- Standard SMILES
CCC1(C)OCC(CCl)O1- InChIKey
YMJJLDLOIAXAHN-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 4-(chloromethyl)-2-ethyl-2-methyl-
- IUPAC
- 4-(chloromethyl)-2-ethyl-2-methyl-1,3-dioxolane
Names & synonyms
57840-69-41,3-Dioxolane, 4-(chloromethyl)-2-ethyl-2-methyl-4-(chloromethyl)-2-ethyl-2-methyl-1,3-dioxolaneNSC44522AI3-32093SCHEMBL10752574DTXSID10973413NSC 44522NSC-44522AKOS0063823772-methyl-2-ethyl-4-chloromethyl-1,3-dioxolane
Database identifiers
- CAS
57840-69-4- PubChem CID
- 97828
- DTXSID
DTXSID10973413
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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