CAS
94201-26-0 Purity
96%
94201-26-0 Purity
96%
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The molecular formula is C13H24O.
The molecular weight is 196.33 g/mol.
The IUPAC name is 2-methyl-4-(2,2,3-trimethylcyclopentyl)butanal.
The InChI is InChI=1S/C13H24O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h9-12H,5-8H2,1-4H3.
The InChIKey is GUYGVAVSYCHUCB-UHFFFAOYSA-N.
The canonical SMILES is CC1CCC(C1(C)C)CCC(C)C=O.
It has 0 hydrogen bond donor counts.
The XLogP3-AA value is 4.2.
It has 4 rotatable bond counts.
Yes, the compound Is Canonicalized according to PubChem.