CAS
94231-47-7 Purity
96%
94231-47-7 Purity
96%
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1,3-Dimethylbutyl cyclopentanecarboxylate
CAS
94231-51-3
Catalog Number
ACM94231513
Category
Other Products
Molecular Formula
C12H22O2
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What is the molecular formula of 1,3-Dimethylbutyl cyclopentanecarboxylate?
The molecular formula is C12H22O2.
What are the synonyms for 1,3-Dimethylbutyl cyclopentanecarboxylate?
Synonyms include 94231-51-3, EINECS 303-869-7, 4-methylpentan-2-yl cyclopentanecarboxylate, and DTXSID50916021.
When was 1,3-Dimethylbutyl cyclopentanecarboxylate created and last modified?
It was created on August 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of 1,3-Dimethylbutyl cyclopentanecarboxylate?
The IUPAC name is 4-methylpentan-2-yl cyclopentanecarboxylate.
What is the InChI of 1,3-Dimethylbutyl cyclopentanecarboxylate?
The InChI is InChI=1S/C12H22O2/c1-9(2)8-10(3)14-12(13)11-6-4-5-7-11/h9-11H,4-8H2,1-3H3.
What is the InChIKey of 1,3-Dimethylbutyl cyclopentanecarboxylate?
The InChIKey is AGGULZKSGBOSKI-UHFFFAOYSA-N.
What are some computed properties of 1,3-Dimethylbutyl cyclopentanecarboxylate?
Computed properties include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, and complexity.
What is the topological polar surface area of 1,3-Dimethylbutyl cyclopentanecarboxylate?
The topological polar surface area is 26.3 Ų.
How many covalently-bonded units are there in 1,3-Dimethylbutyl cyclopentanecarboxylate?
There is 1 covalently-bonded unit.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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