CAS
96846-68-3 Purity
96%
96846-68-3 Purity
96%
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1,1,5-Trimethylheptyl isovalerate
CAS
96846-72-9
Catalog Number
ACM96846729
Category
Other Products
Molecular Weight
242.397500 [g/mol]
Molecular Formula
C15H30O2
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Specification
Synonyms
1,1,5-Trimethylheptyl isovalerate, 96846-72-9, EINECS 306-307-9, AC1MIGWN, CTK5H8980, AG-H-96160, 2,6-dimethyloctan-2-yl 3-methylbutanoate
IUPAC Name
2,6-dimethyloctan-2-yl 3-methylbutanoate
Canonical SMILES
CCC(C)CCCC(C)(C)OC(=O)CC(C)C
InChI Key
ZUDNDYNFMGZVBR-UHFFFAOYSA-N
Boiling Point
254.8ºC at 760 mmHg
Flash Point
112.8ºC
Density
0.864g/cm³
EC Number
306-307-9
Exact Mass
242.22500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1,1,5-Trimethylheptyl isovalerate?
The molecular formula is C15H30O2.
What are some synonyms for 1,1,5-Trimethylheptyl isovalerate?
Some synonyms include EINECS 306-307-9, 96846-72-9, and 2,6-dimethyloctan-2-yl 3-methylbutanoate.
What is the molecular weight of 1,1,5-Trimethylheptyl isovalerate?
The molecular weight is 242.40 g/mol.
When was 1,1,5-Trimethylheptyl isovalerate created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of 1,1,5-Trimethylheptyl isovalerate?
The IUPAC name is 2,6-dimethyloctan-2-yl 3-methylbutanoate.
What is the Canonical SMILES of 1,1,5-Trimethylheptyl isovalerate?
The Canonical SMILES is CCC(C)CCCC(C)(C)OC(=O)CC(C)C.
How many hydrogen bond acceptor counts does 1,1,5-Trimethylheptyl isovalerate have?
It has 2 hydrogen bond acceptor counts.
What is the XLogP3-AA value for 1,1,5-Trimethylheptyl isovalerate?
The XLogP3-AA value is 5.1.
What is the exact mass of 1,1,5-Trimethylheptyl isovalerate?
The exact mass is 242.224580195 g/mol.
Is 1,1,5-Trimethylheptyl isovalerate a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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CAS
96846-71-8 Purity
96%
96846-71-8 Purity
96%
