CAS
97952-35-7 Purity
96%
97952-35-7 Purity
96%
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2-Hexadecylicosyl octanoate
CAS
97952-42-6
Catalog Number
ACM97952426
Category
Other Products
Molecular Weight
649.168320 [g/mol]
Molecular Formula
C44H88O2
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Specification
Synonyms
2-Hexadecylicosyl octanoate, EINECS 308-334-1, CID113474, 97952-42-6
IUPAC Name
2-hexadecylicosyl octanoate
Canonical SMILES
CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC
InChI Key
JYCUBBLPYZNDAM-UHFFFAOYSA-N
Boiling Point
622ºC at 760mmHg
Flash Point
338.2ºC
Density
0.855g/cm³
EC Number
308-334-1
Exact Mass
648.67800
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Hexadecylicosyl octanoate?
The molecular formula of 2-Hexadecylicosyl octanoate is C44H88O2.
When was 2-Hexadecylicosyl octanoate created and modified?
It was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC Name of 2-Hexadecylicosyl octanoate?
The IUPAC Name of 2-Hexadecylicosyl octanoate is 2-hexadecylicosyl octanoate.
What is the Canonical SMILES for 2-Hexadecylicosyl octanoate?
The Canonical SMILES for 2-Hexadecylicosyl octanoate is CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)COC(=O)CCCCCCC.
What is the InChIKey of 2-Hexadecylicosyl octanoate?
The InChIKey of 2-Hexadecylicosyl octanoate is JYCUBBLPYZNDAM-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in 2-Hexadecylicosyl octanoate?
There are 2 hydrogen bond acceptors in 2-Hexadecylicosyl octanoate.
What is the topological polar surface area of 2-Hexadecylicosyl octanoate?
The topological polar surface area of 2-Hexadecylicosyl octanoate is 26.3 Å^2.
How many rotatable bond counts are there in 2-Hexadecylicosyl octanoate?
There are 41 rotatable bond counts in 2-Hexadecylicosyl octanoate.
Is 2-Hexadecylicosyl octanoate a Canonicalized compound?
Yes, 2-Hexadecylicosyl octanoate is Canonicalized.
What is the molecular weight of 2-Hexadecylicosyl octanoate?
The molecular weight of 2-Hexadecylicosyl octanoate is 649.2 g/mol.
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