Pivalic acid, neopentanetetrayl ester
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Basic information
- CAS
5178-17-6- Standard SMILES
CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C- InChIKey
KMLHVFNCOIYDRD-UHFFFAOYSA-N- Molecular formula
- C25H44O8
- Average molar mass
- 472.6 g/mol
- Monoisotopic mass
- 472.30361836
Names & identifiers
- Preferred name
- Pivalic acid, neopentanetetrayl ester
- IUPAC
- [3-(2,2-dimethylpropanoyloxy)-2,2-bis(2,2-dimethylpropanoyloxymethyl)propyl] 2,2-dimethylpropanoate
- English name
- Bispivalic acid 2,2-bis[(pivaloyloxy)methyl]-1,3-propanediyl ester
- Molecular formula
- C25H44O8
- Molecular weight
- 472.61
Names & synonyms
Pivalic acid, neopentanetetrayl esterPentaerythrit-tetrapivalatSCHEMBL12561094KMLHVFNCOIYDRD-UHFFFAOYSA-NPropanoic acid, 2,2-dimethyl-, 2,2-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-1,3-propanediyl esterPentaerythritol tetrakis(2,2-dimethylpropanoate)3-[(2,2-Dimethylpropanoyl)oxy]-2,2-bis([(2,2-dimethylpropanoyl)oxy]methyl)propyl pivalate #Bispivalic acid 2,2-bis[(pivaloyloxy)methyl]-1,3-propanediyl esterPropanoic acid, 2,2-dimethyl-, 1,1'-[2,2-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-1,3-propanediyl] ester
Database identifiers
- CAS
5178-17-6- PubChem CID
- 546070
- Nikkaji
- J129.182C
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
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Compound notes
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