Basic information
- CAS
71850-74-3- Standard SMILES
CCCCC(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)CCCC- InChIKey
WIAWMBFCOXRNOS-UHFFFAOYSA-N- Molecular formula
- C20H36O6
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.25118886
Names & identifiers
- Preferred name
- Pentanoic acid, 3-[2,2-dimethyl-1-oxo-3-[(1-oxopentyl)oxy]propoxy]-2,2-dimethylpropyl ester
- IUPAC
- (2,2-dimethyl-3-pentanoyloxypropyl) 2,2-dimethyl-3-pentanoyloxypropanoate
- English name
- Pentanoic acid 3-[2,2-dimethyl-1-oxo-3-[(1-oxopentyl)oxy]propoxy]-2,2-dimethylpropyl ester
- Molecular formula
- C20H36O6
- Molecular weight
- 372.5
Names & synonyms
Pentanoic acid, 3-(2,2-dimethyl-1-oxo-3-((1-oxopentyl)oxy)propoxy)-2,2-dimethylpropyl esterDTXSID9072442Pentanoic acid, 3-[2,2-dimethyl-1-oxo-3-[(1-oxopentyl)oxy]propoxy]-2,2-dimethylpropyl esterRefChem:859969DTXCID804713971850-74-3WIAWMBFCOXRNOS-UHFFFAOYSA-N3-{[2,2-DIMETHYL-3-(PENTANOYLOXY)PROPANOYL]OXY}-2,2-DIMETHYLPROPYL PENTANOATEPentanoic acid 3-[2,2-dimethyl-1-oxo-3-[(1-oxopentyl)oxy]propoxy]-2,2-dimethylpropyl ester
Database identifiers
- CAS
71850-74-3- PubChem CID
- 3085643
- DTXSID
DTXSID9072442- Nikkaji
- J446.983F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- EPA Substance Registry System
- 3 · Pentanoic acid, 3-[2,2-dimethyl-1-oxo-3-[(1-oxopentyl)oxy]propoxy]-2,2-dimethylpropyl ester (71850-74-3)
- 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 InformationPentanoic acid, 3-[2,2-dimethyl-1-oxo-3-[(1-oxopentyl)oxy]propoxy]-2,2-dimethylpropyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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