Cas no 101622-77-9 ((E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol)
101622-77-9 structure
Product Name:(E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol
CAS No:101622-77-9
MF:C12H20O4
MW:228.284804344177
CID:6765267
Update Time:2024-03-03
(E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol Chemical and Physical Properties
Names and Identifiers
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- (E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol
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- Inchi： 1S/C12H20O4/c1-6-12(5,15-10(2)13)9-7-8-11(3,4)16-14/h6-8,14H,1,9H2,2-5H3/b8-7+/t12-/m0/s1
- InChI Key： MDHMWLQXNWJRGN-GUOLPTJISA-N
- SMILES： C(OO)(C)(C)/C=C/C[C@](OC(C)=O)(C)C=C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- XLogP3: 1.804
(E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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