CAS
93838-90-5 Purity
96%
93838-90-5 Purity
96%
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1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl stearate
CAS
93839-05-5
Catalog Number
ACM93839055
Category
Other Products
Molecular Weight
420.71128
Molecular Formula
C28H52O2
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Specification
Synonyms
1,3,3-trimethylbicyclo[2.2.1]hept-2-yl stearate;Octadecanoic acid 1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl ester
What is the molecular formula of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl stearate?
The molecular formula is C28H52O2.
When was this compound created and last modified in PubChem?
It was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl stearate?
The IUPAC name is (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) octadecanoate.
What is the InChIKey of this compound?
The InChIKey is MSCSYRZMJVLHSI-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl stearate?
The Canonical SMILES is CCCCCCCCCCCCCCCCCC(=O)OC1C(C2CCC1(C2)C)(C)C.
What is the molecular weight of this compound?
The molecular weight is 420.7 g/mol.
How many hydrogen bond donor counts does this compound have?
It has 0 hydrogen bond donor count.
What is the topological polar surface area of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl stearate?
The topological polar surface area is 26.3 Ų.
How many rotatable bond counts does this compound have?
It has 18 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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