CAS
93778-63-3 Purity
96%
93778-63-3 Purity
96%
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tert-Pentyl 2,2-dimethylperoxybutyrate
CAS
93778-67-7
Catalog Number
ACM93778677
Category
Other Products
Molecular Weight
202.290580 [g/mol]
Molecular Formula
C11H22O3
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Specification
Synonyms
EINECS 298-203-4, tert-Pentyl 2,2-dimethylperoxybutyrate, 93778-67-7
IUPAC Name
2-methylbutan-2-yl 2,2-dimethylbutaneperoxoate
Canonical SMILES
CCC(C)(C)C(=O)OOC(C)(C)CC
InChI Key
BHOJYRVNQUQMDT-UHFFFAOYSA-N
Boiling Point
256.4ºC at 760mmHg
Flash Point
102.5ºC
Density
1.046g/cm³
EC Number
298-203-4
Exact Mass
202.15700
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of tert-Pentyl 2,2-dimethylperoxybutyrate?
The molecular formula is C11H22O3.
When was tert-Pentyl 2,2-dimethylperoxybutyrate created and last modified?
It was created on May 21, 2009, and last modified on December 30, 2023.
What is the IUPAC name of tert-Pentyl 2,2-dimethylperoxybutyrate?
The IUPAC name is 2-methylbutan-2-yl 2,2-dimethylbutaneperoxoate.
What is the InChIKey for tert-Pentyl 2,2-dimethylperoxybutyrate?
The InChIKey is BHOJYRVNQUQMDT-UHFFFAOYSA-N.
What is the Canonical SMILES representation of tert-Pentyl 2,2-dimethylperoxybutyrate?
The Canonical SMILES is CCC(C)(C)C(=O)OOC(C)(C)CC.
What is the CAS number for tert-Pentyl 2,2-dimethylperoxybutyrate?
The CAS number is 93778-67-7.
What is the molecular weight of tert-Pentyl 2,2-dimethylperoxybutyrate?
The molecular weight is 202.29 g/mol.
How many hydrogen bond acceptors does tert-Pentyl 2,2-dimethylperoxybutyrate have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value of tert-Pentyl 2,2-dimethylperoxybutyrate?
The XLogP3-AA value is 3.4.
Is tert-Pentyl 2,2-dimethylperoxybutyrate a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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