CAS
93918-75-3 Purity
96%
93918-75-3 Purity
96%
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Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate
CAS
93918-82-2
Catalog Number
ACM93918822
Category
Other Products
Molecular Weight
472.764380 [g/mol]
Molecular Formula
C27H52O4S
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Specification
Synonyms
EINECS 299-962-4, CID3022899, Tetradecyl 3-((2-((2-ethylhexyl)oxy)-2-oxoethyl)thio)propionate, 93918-82-2
IUPAC Name
tetradecyl 3-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylpropanoate
Canonical SMILES
CCCCCCCCCCCCCCOC(=O)CCSCC(=O)OCC(CC)CCCC
InChI Key
IAELOIIBNWOIBD-UHFFFAOYSA-N
Boiling Point
539.7ºC at 760mmHg
Flash Point
243.9ºC
Density
0.954g/cm³
EC Number
299-962-4
Exact Mass
472.35900
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate?
The molecular formula is C27H52O4S.
When was Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate created in PubChem?
It was created on 2005-08-08.
What is the molecular weight of Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate?
The molecular weight is 472.8 g/mol.
What is the InChIKey of Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate?
The InChIKey is IAELOIIBNWOIBD-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts are there in Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate?
There are 5 hydrogen bond acceptor counts.
What is the XLogP3-AA value of Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate?
The XLogP3-AA value is 10.4.
How many rotatable bond counts are there in Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate?
There are 26 rotatable bond counts.
What is the topological polar surface area of Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate?
The topological polar surface area is 77.9 ?².
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
How many defined atom stereocenter counts are there in Tetradecyl 3-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]propionate?
There are 0 defined atom stereocenter counts.
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