CAS
93776-84-2 Purity
96%
93776-84-2 Purity
96%
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2-Benzyl-5-butyl-5-ethyl-1,3-dioxane
CAS
93776-91-1
Catalog Number
ACM93776911
Category
Other Products
Molecular Weight
262.387140 [g/mol]
Molecular Formula
C17H26O2
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Specification
Synonyms
NSC26393, CID95267, EINECS 298-018-9, 2-Benzyl-5-butyl-5-ethyl-1,3-dioxane, 93776-91-1
IUPAC Name
2-benzyl-5-butyl-5-ethyl-1,3-dioxane
InChI Key
ZRICRSADBZTBIN-UHFFFAOYSA-N
Boiling Point
347.9ºC at 760mmHg
Flash Point
179ºC
Density
0.959g/cm³
Exact Mass
262.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 95267?
The molecular formula is C17H26O2.
What is the molecular weight of the compound?
The molecular weight is 262.4 g/mol.
What are some synonyms for the compound?
Some synonyms include 2-Benzyl-5-butyl-5-ethyl-1,3-dioxane, 93776-91-1, EINECS 298-018-9, and NSC26393.
What is the IUPAC name of the compound?
The IUPAC name is 2-benzyl-5-butyl-5-ethyl-1,3-dioxane.
What is the InChIKey of the compound?
The InChIKey is ZRICRSADBZTBIN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.8.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 18.5 Å2.
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