Basic information
- CAS
61366-83-4- Standard SMILES
CC1(C)OC(=O)C(C)(C2(O)C=CCCC2)O1- InChIKey
UQDUGZGYRSOAHS-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- 5-(1-Hydroxycyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-one
- IUPAC
- 5-(1-hydroxycyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-one
Names & synonyms
61366-83-4NSC 2922545-(1-hydroxycyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-oneNSC292254DTXSID70315138NSC-292254
Database identifiers
- CAS
61366-83-4- PubChem CID
- 324993
- DTXSID
DTXSID70315138
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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