Basic information
- CAS
116311-64-9- Standard SMILES
CCCCCCCCCCOc1cc(OC)c(OCCCCCCCCCC)cc1OC- InChIKey
PEQDMANJHPVKCY-UHFFFAOYSA-N- Molecular formula
- C28H50O4
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 450.37091007
Names & identifiers
- Preferred name
- Benzene, 1,4-bis(decyloxy)-2,5-dimethoxy-
- IUPAC
- 1,4-didecoxy-2,5-dimethoxybenzene
Names & synonyms
Benzene, 1,4-bis(decyloxy)-2,5-dimethoxy-116311-64-9DTXSID2073069RefChem:562317DTXCID0033386SCHEMBL7994834PEQDMANJHPVKCY-UHFFFAOYSA-N1,4-BIS(DECYLOXY)-2,5-DIMETHOXYBENZENE
Database identifiers
- CAS
116311-64-9- PubChem CID
- 14008331
- DTXSID
DTXSID2073069
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 354
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-bis(decyloxy)-2,5-dimethoxy-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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