CAS
94086-59-6 Purity
96%
94086-59-6 Purity
96%
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(S)-3,7-Dimethyloct-6-enyl isovalerate
CAS
94086-64-3
Catalog Number
ACM94086643
Category
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What is the molecular formula of (S)-3,7-Dimethyloct-6-enyl isovalerate?
The molecular formula is C15H28O2.
When was (S)-3,7-Dimethyloct-6-enyl isovalerate created in PubChem?
It was created on December 5, 2007.
What is the IUPAC name of (S)-3,7-Dimethyloct-6-enyl isovalerate?
The IUPAC name is [(3S)-3,7-dimethyloct-6-enyl] 3-methylbutanoate.
What is the Canonical SMILES for (S)-3,7-Dimethyloct-6-enyl isovalerate?
The Canonical SMILES is CC(C)CC(=O)OCCC(C)CCC=C(C)C.
What is the InChIKey of (S)-3,7-Dimethyloct-6-enyl isovalerate?
The InChIKey is WZTNQQJXPYEGAF-AWEZNQCLSA-N.
How many hydrogen bond acceptor counts does (S)-3,7-Dimethyloct-6-enyl isovalerate have?
It has 2 hydrogen bond acceptor counts.
What is the exact mass of (S)-3,7-Dimethyloct-6-enyl isovalerate?
The exact mass is 240.208930132 g/mol.
How many rotatable bond counts does (S)-3,7-Dimethyloct-6-enyl isovalerate have?
It has 9 rotatable bond counts.
Is (S)-3,7-Dimethyloct-6-enyl isovalerate a covalently-bonded unit?
Yes, it is a covalently-bonded unit.
What is the topological polar surface area of (S)-3,7-Dimethyloct-6-enyl isovalerate?
The topological polar surface area is 26.3 Å2.
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![[s-(E)]-3,7-Dimethyl-6-octenyl 2-methyl-2-butenoate](https://resource.alfa-chemistry.com/structure/94086-63-2.gif)
