Basic information
- CAS
72785-15-0- Standard SMILES
CC1CCCCCCCCCC(=O)OCCOC(=O)C1- InChIKey
OQCIWLIZZWIBRK-UHFFFAOYSA-N- Molecular formula
- C16H28O4
- Average molar mass
- 284.39 g/mol
- Monoisotopic mass
- 284.19875937
Names & identifiers
- Preferred name
- 1,4-Dioxacycloheptadecane-5,17-dione, 7-methyl-
- IUPAC
- 7-methyl-1,4-dioxacycloheptadecane-5,17-dione
- English name
- 7-methyl-1,4-dioxacycloheptadecane-5,17-dione
- Molecular formula
- C16H28O4
- Molecular weight
- 284.39112
Names & synonyms
7-Methyl-1,4-dioxacycloheptadecane-5,17-dioneEthylene 3-methylbrassylate1,4-Dioxacycloheptadecane-5,17-dione, 7-methyl-EINECS 276-836-7DTXSID50888193RefChem:73329DTXCID501027474276-836-772785-15-0SCHEMBL11211397OQCIWLIZZWIBRK-UHFFFAOYSA-NNS00062388
Show more names
7-Methyl-1,4-dioxacyploheptadecane-5,17-dione
Database identifiers
- CAS
72785-15-0- PubChem CID
- 175157
- DTXSID
DTXSID50888193- EC Number
- 276-836-7
- Nikkaji
- J318.828K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Dioxacycloheptadecane-5,17-dione, 7-methyl- (72785-15-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Dioxacycloheptadecane-5,17-dione, 7-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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