CAS
93803-85-1 Purity
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93803-85-1 Purity
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Octadecyl isooctadecanoate
CAS
93803-88-4
Catalog Number
ACM93803884
Category
Other Products
Molecular Weight
536.955680 [g/mol]
Molecular Formula
C36H72O2
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Specification
Synonyms
Octadecyl isooctadecanoate, EINECS 298-363-5, 93803-88-4
IUPAC Name
octadecyl 16-methylheptadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C
InChI Key
HPBPOWORSSCUOZ-UHFFFAOYSA-N
EC Number
298-363-5
Exact Mass
536.55300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Octadecyl isooctadecanoate?
The molecular formula of Octadecyl isooctadecanoate is C36H72O2.
When was Octadecyl isooctadecanoate created in PubChem?
Octadecyl isooctadecanoate was created in PubChem on August 20, 2009.
What is the InChIKey for Octadecyl isooctadecanoate?
The InChIKey for Octadecyl isooctadecanoate is HPBPOWORSSCUOZ-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in Octadecyl isooctadecanoate?
There are 0 hydrogen bond donor counts in Octadecyl isooctadecanoate.
What is the XLogP3-AA value for Octadecyl isooctadecanoate?
The XLogP3-AA value for Octadecyl isooctadecanoate is 17.1.
How many rotatable bond counts are there in Octadecyl isooctadecanoate?
There are 33 rotatable bond counts in Octadecyl isooctadecanoate.
What is the topological polar surface area of Octadecyl isooctadecanoate?
The topological polar surface area of Octadecyl isooctadecanoate is 26.3 Ų.
Is the compound Canonicalized?
Yes, the compound Octadecyl isooctadecanoate is Canonicalized.
What is the formal charge of Octadecyl isooctadecanoate?
The formal charge of Octadecyl isooctadecanoate is 0.
How many covalently-bonded unit counts are there in Octadecyl isooctadecanoate?
There is 1 covalently-bonded unit count in Octadecyl isooctadecanoate.
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CAS
93803-89-5 Purity
96%
93803-89-5 Purity
96%
