94088-94-5 Purity
96%
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Specification
The molecular formula of trans-2-Hexenyl 2-methyl butyrate is C11H20O2.
The molecular weight of trans-2-Hexenyl 2-methyl butyrate is 184.27 g/mol.
The IUPAC Name of trans-2-Hexenyl 2-methyl butyrate is [(E)-hex-2-enyl] 2-methylbutanoate.
The InChIKey of trans-2-Hexenyl 2-methyl butyrate is SXJKRFLZGRFPBD-BQYQJAHWSA-N.
The Canonical SMILES of trans-2-Hexenyl 2-methyl butyrate is CCCC=CCOC(=O)C(C)CC.
The CAS number of trans-2-Hexenyl 2-methyl butyrate is 94089-01-7.
The XLogP3-AA value of trans-2-Hexenyl 2-methyl butyrate is 3.4.
Trans-2-Hexenyl 2-methyl butyrate has 2 hydrogen bond acceptors.
Trans-2-Hexenyl 2-methyl butyrate has 7 rotatable bonds.
The topological polar surface area of trans-2-Hexenyl 2-methyl butyrate is 26.3 Å2.