CAS
97466-49-4 Purity
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97466-49-4 Purity
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3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate
CAS
97467-66-8
Catalog Number
ACM97467668
Category
Other Products
Molecular Weight
859.307120 [g/mol]
Molecular Formula
C50H98O10
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Specification
Synonyms
3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate, 97467-66-8, CTK5H9344, EINECS 306-914-9, AG-H-97345
IUPAC Name
2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl octadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC
InChI Key
UIXPZXWQZJBLMD-UHFFFAOYSA-N
Boiling Point
796.5ºC at 760mmHg
Flash Point
299.3ºC
Density
0.955g/cm³
EC Number
306-914-9
Exact Mass
858.71600
H-Bond Acceptor
10
H-Bond Donor
0
What is the molecular formula of 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate?
The molecular formula is C50H98O10.
When was 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate created and modified in PubChem?
It was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC Name of 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate?
The IUPAC Name is 2-[2-[2-[2-[2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl octadecanoate.
What is the InChIKey of 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate?
The InChIKey is UIXPZXWQZJBLMD-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate?
There are 10 hydrogen bond acceptors.
What is the exact mass of 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate?
The exact mass is 858.71599932 g/mol.
How many rotatable bond counts are there in 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate?
There are 55 rotatable bond counts.
What is the topological polar surface area of 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate?
The topological polar surface area is 108 Ų.
How many heavy atom counts are there in 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate?
There are 60 heavy atom counts.
Is 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl distearate considered as a canonicalized compound in PubChem?
Yes, it is considered as a canonicalized compound in PubChem.
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