Basic information
- CAS
6956-54-3- Standard SMILES
CCCC(=O)C(OC)OC- InChIKey
QVEFWBQLIVFFTH-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- 1,1-Dimethoxypentan-2-one
- IUPAC
- 1,1-dimethoxypentan-2-one
- English name
- 2-Pentanone,1,1-dimethoxy-
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18426
Names & synonyms
1,1-dimethoxypentan-2-one6956-54-3NSC650511,1-dimethoxy-pentan-2-oneSCHEMBL3236585DTXSID80289871NSC-65051AKOS018047988H594912-Pentanone,1,1-dimethoxy-
Database identifiers
- CAS
6956-54-3- PubChem CID
- 248331
- DTXSID
DTXSID80289871- Nikkaji
- J614.928F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…