8-Methyl-10-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Basic information
- CAS
18465-95-7- Standard SMILES
CC1=CC2C(C(C)C)CC1C1C(=O)OC(=O)C21- InChIKey
IHLZMAMVGXEIGC-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.12559443
Names & identifiers
- Preferred name
- 8-Methyl-10-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
- IUPAC
- 8-methyl-10-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Names & synonyms
NSC20258018465-95-7CHEMBL1979428SCHEMBL15802685DTXSID70308161AKOS000281447AKOS040765349NSC-202580
Database identifiers
- CAS
18465-95-7- PubChem CID
- 305563
- DTXSID
DTXSID70308161- ChEMBL
CHEMBL1979428
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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