96841-04-2 Purity
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Specification
The molecular formula of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is C14H26O2.
1,1-Dimethyl-5-methyleneheptyl isobutyrate was created on 2007-07-11 and modified on 2023-12-30 in PubChem.
The molecular weight of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is 226.35 g/mol.
The IUPAC name of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is (2-methyl-6-methylideneoctan-2-yl) 2-methylpropanoate.
The Canonical SMILES representation of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is CCC(=C)CCCC(C)(C)OC(=O)C(C)C.
The InChIKey of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is TVEVQXMPYUHNIH-UHFFFAOYSA-N.
1,1-Dimethyl-5-methyleneheptyl isobutyrate has 2 hydrogen bond acceptor count.
The topological polar surface area of 1,1-Dimethyl-5-methyleneheptyl isobutyrate is 26.3 Ų.
1,1-Dimethyl-5-methyleneheptyl isobutyrate has 8 rotatable bond count.
Yes, 1,1-Dimethyl-5-methyleneheptyl isobutyrate is a canonicalized compound according to PubChem.