4H-Pyran-4-one, 3,3'-methylenebis[tetrahydro-6,6-dimethyl-
Basic information
- CAS
62328-92-1- Standard SMILES
CC1(C)CC(=O)C(CC2COC(C)(C)CC2=O)CO1- InChIKey
NHLUVFQECRUUQT-UHFFFAOYSA-N- Molecular formula
- C15H24O4
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.16745924
Names & identifiers
- Preferred name
- 4H-Pyran-4-one, 3,3'-methylenebis[tetrahydro-6,6-dimethyl-
- IUPAC
- 5-[(6,6-dimethyl-4-oxooxan-3-yl)methyl]-2,2-dimethyloxan-4-one
Names & synonyms
62328-92-14H-Pyran-4-one, 3,3'-methylenebis[tetrahydro-6,6-dimethyl-DTXSID703927023,3'-Methylenebis(6,6-dimethyloxan-4-one)3,3'-methylenedi(6,6-dimethyltetrahydropyran-4-one)
Database identifiers
- CAS
62328-92-1- PubChem CID
- 3461693
- DTXSID
DTXSID70392702
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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