CAS
948006-29-9 Purity
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948006-29-9 Purity
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Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate
CAS
948014-25-3
Catalog Number
ACM948014253
Category
Other Products
Molecular Weight
458.1209
Molecular Formula
C10H5F15O3
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Specification
Synonyms
Ethyl perfluoro-7-methyl-6-oxaoctanoate, Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate, CTK6F3712, MolPort-003-993-880, PC6415, AG-C-11665, KB-88320, 948014-25-3
IUPAC Name
ethyl 2,2,3,3,4,4,5,5-octafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentanoate
Canonical SMILES
CCOC(=O)C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI Key
JKIBXEUXUXYAHU-UHFFFAOYSA-N
Exact Mass
458.00000
H-Bond Acceptor
18
H-Bond Donor
0
What is the molecular formula of Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate?
The molecular formula is C10H5F15O3.
When was Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate first created?
It was first created on March 29, 2010.
What is the IUPAC name of Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate?
The IUPAC name is ethyl 2,2,3,3,4,4,5,5-octafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentanoate.
What is the InChIKey of Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate?
The InChIKey is JKIBXEUXUXYAHU-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate have?
It has 18 hydrogen bond acceptors.
What is the XLogP3-AA value for Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate?
The XLogP3-AA value is 5.7.
What is the exact mass of Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate?
The exact mass is 457.9999164 g/mol.
How many rotatable bonds does Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate have?
It has 8 rotatable bonds.
What is the topological polar surface area of Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate?
The topological polar surface area is 35.5 2.
Is Ethyl 5-(heptafluoroisopropoxy)octafluoropentanoate a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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