Basic information
- CAS
926-27-2- Standard SMILES
COC(=O)C(C)(C)CCCC(C)=O- InChIKey
WMAHWHYQGFDCIQ-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- Heptanoic acid, 2,2-dimethyl-6-oxo-, methyl ester
- IUPAC
- methyl 2,2-dimethyl-6-oxoheptanoate
- English name
- 2,2-Dimethyl-6-oxoheptanoic acid methyl ester
- Molecular weight
- 0
Names & synonyms
Heptanoic acid, 2,2-dimethyl-6-oxo-, methyl esterMethyl 2,2-dimethyl-6-oxoheptanoate926-27-2Methyl ester of 2,2-Dimethyl-6-oxoheptanoic acidDTXSID00336972WMAHWHYQGFDCIQ-UHFFFAOYSA-NMethyl 2,2-dimethyl-6-oxoheptanoate #2,2-Dimethyl-6-oxoheptanoic acid methyl ester
Database identifiers
- CAS
926-27-2- PubChem CID
- 537641
- DTXSID
DTXSID00336972- Nikkaji
- J127.382E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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