Basic information
- CAS
61366-84-5- Standard SMILES
CC1=CC(O)(C2(C)OC(C)(C)OC2=O)CCC1- InChIKey
SQKWRDWQDJXHMK-UHFFFAOYSA-N- Molecular formula
- C13H20O4
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.13615911
Names & identifiers
- Preferred name
- 5-(1-Hydroxy-3-methylcyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-one
- IUPAC
- 5-(1-hydroxy-3-methylcyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-one
Names & synonyms
61366-84-5NSC2925835-(1-hydroxy-3-methylcyclohex-2-en-1-yl)-2,2,5-trimethyl-1,3-dioxolan-4-oneDTXSID30315159NSC-292583
Database identifiers
- CAS
61366-84-5- PubChem CID
- 325052
- DTXSID
DTXSID30315159
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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