CAS
93843-25-5 Purity
96%
93843-25-5 Purity
96%
![4-[2-Hydroxy-3-(isononyloxy)propoxy]benzaldehyde[[4-[2-hydroxy-3-(isononyloxy)propoxy]phenyl]methylene]hydrazone](https://resource.alfa-chemistry.com/structure/93843-31-3.gif)
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2-Hexyldecyl isononanoate
CAS
93843-29-9
Catalog Number
ACM93843299
Category
Other Products
Molecular Weight
382.6633
Molecular Formula
C25H50O2
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Specification
Synonyms
2-Hexyldecyl isononanoate, EINECS 299-109-6, 93843-29-9
IUPAC Name
2-hexyldecyl 7-methyloctanoate
Canonical SMILES
CCCCCCCCC(CCCCCC)COC(=O)CCCCCC(C)C
InChI Key
AJLCDATVJTVVLI-UHFFFAOYSA-N
EC Number
299-109-6
Exact Mass
382.38100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Hexyldecyl isononanoate?
The molecular formula of 2-Hexyldecyl isononanoate is C25H50O2.
When was 2-Hexyldecyl isononanoate first created and modified in the database?
It was first created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of 2-Hexyldecyl isononanoate?
The IUPAC name of 2-Hexyldecyl isononanoate is 2-hexyldecyl 7-methyloctanoate.
What is the InChI of 2-Hexyldecyl isononanoate?
The InChI of 2-Hexyldecyl isononanoate is InChI=1S/C25H50O2/c1-5-7-9-11-12-16-20-24(19-15-10-8-6-2)22-27-25(26)21-17-13-14-18-23(3)4/h23-24H,5-22H2,1-4H3.
What is the InChIKey of 2-Hexyldecyl isononanoate?
The InChIKey of 2-Hexyldecyl isononanoate is AJLCDATVJTVVLI-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-Hexyldecyl isononanoate have?
2-Hexyldecyl isononanoate has 0 hydrogen bond donor counts.
What is the topological polar surface area of 2-Hexyldecyl isononanoate?
The topological polar surface area of 2-Hexyldecyl isononanoate is 26.3 Ų.
How many rotatable bond counts does 2-Hexyldecyl isononanoate have?
2-Hexyldecyl isononanoate has 21 rotatable bond counts.
Is 2-Hexyldecyl isononanoate a canonicalized compound?
Yes, 2-Hexyldecyl isononanoate is a canonicalized compound.
What is the XLogP3-AA value of 2-Hexyldecyl isononanoate?
The XLogP3-AA value of 2-Hexyldecyl isononanoate is 10.8.
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