Basic information
- CAS
64275-16-7- Standard SMILES
CC1(C)COC(c2ccc(CC(Cc3ccc(C4(C(C)(C)C)OCC(C)(C)CO4)cc3)C(=O)O)cc2)(C(C)(C)C)OC1- InChIKey
OYKGNJGTCYPQFL-UHFFFAOYSA-N- Molecular formula
- C36H52O6
- Average molar mass
- 580.8 g/mol
- Monoisotopic mass
- 580.37638937
Names & identifiers
- Preferred name
- 3-[4-(2-Tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2-[[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl]propanoic acid
- IUPAC
- 3-[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2-[[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl]propanoic acid
- English name
- Bis(4-pivaloylbenzyl)acetic acid 2,2-dimethyltrimethylene acetal
- Molecular formula
- C36H52O6
- Molecular weight
- 580.8
Names & synonyms
64275-16-73-[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2-[[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl]propanoic acid3-[4-(2-tert-Butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2-{[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}propanoic acidNSC339911DTXSID10319110AKOS024431330NSC-339911DS-0069582-[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)benzyl]-3-[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]propanoic acidBENZENEPROPANOIC ACID,4-[2-(1,1-DIMETHYLETHYL)-5,5-DIMETHYL-1,3-DIOXAN-2-YL]-A-[[4-[2-(1,1-DIMETHYLETHYL)-5,5-DIMETHYL-1,3-DIOXAN-2-YL]PHENYL]METHYL]-Bis(4-pivaloylbenzyl)acetic acid 2,2-dimethyltrimethylene acetalBenzenepropanoic acid, 4-[2-(1,1-dimethylethyl)-5,5-dimethyl-1,3-dioxan-2-yl]-α-[[4-[2-(1,1-dimethylethyl)-5,5-dimethyl-1,3-dioxan-2-yl]phenyl]methyl]-
Database identifiers
- CAS
64275-16-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 820
Physicochemical properties
- Boiling point
- 637.7 · 637.7±50.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 4.46 · 4.46±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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