CAS
93776-58-0 Purity
96%
93776-58-0 Purity
96%
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Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]
CAS
93776-66-0
Catalog Number
ACM93776660
Category
Other Products
Molecular Weight
476.011880 [g/mol]
Molecular Formula
C28H42O2Zn
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Specification
Synonyms
EINECS 297-996-4, Zinc bis(p-(1,1,3,3-tetramethylbutyl)phenolate), 93776-66-0
IUPAC Name
zinc;4-(2,4,4-trimethylpentan-2-yl)phenolate
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)[O-].CC(C)(C)CC(C)(C)C1=CC=C(C=C1)[O-].[Zn+2]
InChI Key
IPQRNTCKHOBUOR-UHFFFAOYSA-L
EC Number
297-996-4
Exact Mass
474.24800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]?
The molecular formula is C28H42O2Zn.
What is the molecular weight of Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]?
The molecular weight is 476.0 g/mol.
What is the IUPAC name of Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]?
It is zinc;4-(2,4,4-trimethylpentan-2-yl)phenolate.
What is the InChI of Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]?
The InChI is InChI=1S/2C14H22O.Zn/c2*1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;/h2*6-9,15H,10H2,1-5H3;/q;;+2/p-2.
What is the Canonical SMILES of Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]?
The Canonical SMILES is CC(C)(C)CC(C)(C)C1=CC=C(C=C1)[O-].CC(C)(C)CC(C)(C)C1=CC=C(C=C1)[O-].[Zn+2].
What is the CAS number of Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]?
The CAS number is 93776-66-0.
How many hydrogen bond acceptor counts does Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate] have?
It has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate]?
The topological polar surface area is 46.1 Ų.
Does Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate] have any defined atom stereocenter counts?
No, it has 0 defined atom stereocenter counts.
Is Zinc bis[p-(1,1,3,3-tetramethylbutyl)phenolate] considered as a canonicalized compound?
Yes, the compound is canonicalized.
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