Cas no 88488-69-1 (Heptanal, 4-(diethoxymethyl)-5-methyl-)
88488-69-1 structure
Product Name:Heptanal, 4-(diethoxymethyl)-5-methyl-
CAS No:88488-69-1
MF:C13H26O3
MW:230.343744754791
CID:630853
PubChem ID:13205056
Update Time:2025-04-19
Heptanal, 4-(diethoxymethyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptanal, 4-(diethoxymethyl)-5-methyl-
- 4-(diethoxymethyl)-5-methylheptanal
- 88488-69-1
- DTXSID60527506
-
- Inchi： 1S/C13H26O3/c1-5-11(4)12(9-8-10-14)13(15-6-2)16-7-3/h10-13H,5-9H2,1-4H3
- InChI Key： ZRAFGSXFDPXZSU-UHFFFAOYSA-N
- SMILES： O(CC)C(C(CCC=O)C(C)CC)OCC
Computed Properties
- Exact Mass: 230.18819469g/mol
- Monoisotopic Mass: 230.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 10
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 35.5?2
Heptanal, 4-(diethoxymethyl)-5-methyl- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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