1,1'-[(2-Ethyl-1,3-propanediyl)bis(oxymethylene)]bisbenzene - CAS 33498-90-7
Catalog: |
BB066098 |
Product Name: |
1,1'-[(2-Ethyl-1,3-propanediyl)bis(oxymethylene)]bisbenzene |
CAS: |
33498-90-7 |
Synonyms: |
2-(phenylmethoxymethyl)butoxymethylbenzene; 1,1'-[(2-Ethyl-1,3-propanediyl)bis(oxymethylene)]bisbenzene; (((2-Ethylpropane-1,3-diyl)bis(oxy))bis(methylene))dibenzene; 1,3-Dibenzyloxy-2-ethylpropane; Butane, 1-(benzyloxy)-2-[(benzyloxy)methyl]-; 1-(Benzyloxy)-2-[(benzyloxy)methyl]butane; ((2-[(Benzyloxy)methyl]butoxy)methyl)benzene # |
IUPAC Name: | 2-(phenylmethoxymethyl)butoxymethylbenzene |
Description: | 1,1'-[(2-Ethyl-1,3-propanediyl)bis(oxymethylene)]bisbenzene is an intermediate in the synthesis of 2-(Hydroxymethyl)butanoic Acid (H946455), a substrate used to study the activity of 2-methyl-3hydroxybutyryl-CoA dehydrogenase deficiency in patients and carriers. |
Molecular Weight: | 284.39 |
Molecular Formula: | C19H24O2 |
Canonical SMILES: | CCC(COCC1=CC=CC=C1)COCC2=CC=CC=C2 |
InChI: | InChI=1S/C19H24O2/c1-2-17(13-20-15-18-9-5-3-6-10-18)14-21-16-19-11-7-4-8-12-19/h3-12,17H,2,13-16H2,1H3 |
InChI Key: | SOMSLSTWYULWJW-UHFFFAOYSA-N |
Solubility: | DCM |
Appearance: | Yellow Oil |
References: | Grose, W.F.A., et al. Org. Mass. Spectro., 5, 833 (1971); Tormo, J., et al. J. Org. Chem., 63, 5296 (1998). |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.177630004 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.177630004 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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