CAS
942475-04-9 Purity
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942475-04-9 Purity
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4-(3-Methylcyclohexyl)hydrogen 2-octadecenylsuccinate
CAS
94247-55-9
Catalog Number
ACM94247559
Category
Other Products
Molecular Weight
464.720780 [g/mol]
Molecular Formula
C29H52O4
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Specification
Synonyms
EINECS 304-225-8, 4-(3-Methylcyclohexyl) hydrogen 2-octadecenylsuccinate, 94247-55-9
IUPAC Name
(E)-2-[2-(3-methylcyclohexyl)oxy-2-oxoethyl]icos-4-enoic acid
InChI Key
GTHLUNAAZNFADC-ISLYRVAYSA-N
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 4-(3-Methylcyclohexyl)hydrogen 2-octadecenylsuccinate?
The molecular formula is C29H52O4.
When was 4-(3-Methylcyclohexyl)hydrogen 2-octadecenylsuccinate created and last modified?
It was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of 4-(3-Methylcyclohexyl)hydrogen 2-octadecenylsuccinate?
The IUPAC name is (E)-2-[2-(3-methylcyclohexyl)oxy-2-oxoethyl]icos-4-enoic acid.
What is the InChIKey of 4-(3-Methylcyclohexyl)hydrogen 2-octadecenylsuccinate?
The InChIKey is GTHLUNAAZNFADC-ISLYRVAYSA-N.
How many hydrogen bond donor counts are there in the molecule?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of 4-(3-Methylcyclohexyl)hydrogen 2-octadecenylsuccinate?
The XLogP3-AA value is 10.6.
What is the topological polar surface area of the molecule?
The topological polar surface area is 63.6 Ų.
How many rotatable bond counts are there in the molecule?
There are 21 rotatable bond counts.
What is the exact mass of 4-(3-Methylcyclohexyl)hydrogen 2-octadecenylsuccinate?
The exact mass is 464.38656014 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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