Basic information
- CAS
56519-61-0- Standard SMILES
COC(C)(CCCCl)OC- InChIKey
UBDRYQSBZIAAFH-UHFFFAOYSA-N- Molecular formula
- C7H15ClO2
- Average molar mass
- 166.64 g/mol
- Monoisotopic mass
- 166.0760574
Names & identifiers
- Preferred name
- Pentane, 1-chloro-4,4-dimethoxy-
- IUPAC
- 1-chloro-4,4-dimethoxypentane
- English name
- 1-Chloro-4,4-dimethoxypentane
- Molecular formula
- C7H15ClO2
- Molecular weight
- 166.65
Names & synonyms
Pentane, 1-chloro-4,4-dimethoxy-56519-61-05-Chloro-2-pentanone dimethyl ketalDTXSID6069113RefChem:859891DTXCID50420811-chloro-4,4-dimethoxypentaneSCHEMBL26164044UBDRYQSBZIAAFH-UHFFFAOYSA-NAKOS006387778DB-301366
Database identifiers
- CAS
56519-61-0- PubChem CID
- 91900
- DTXSID
DTXSID6069113- Nikkaji
- J429.322C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.7
Physicochemical properties
- EPA Substance Registry System
- 1 · Pentane, 1-chloro-4,4-dimethoxy- (56519-61-0)
- 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 InformationPentane, 1-chloro-4,4-dimethoxy-: INACTIVE
Suppliers1 total
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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