Cas no 62417-02-1 (Benzaldehyde, 2,4-bis[(3-methyl-2-butenyl)oxy]-)
![Benzaldehyde, 2,4-bis[(3-methyl-2-butenyl)oxy]- structure](https://ossimg.kuujia.com/scimg/62500/62417-02-1x500.png)
62417-02-1 structure
Product Name:Benzaldehyde, 2,4-bis[(3-methyl-2-butenyl)oxy]-
CAS No:62417-02-1
MF:C17H22O3
MW:274.354785442352
CID:445601
PubChem ID:11140310
Update Time:2025-04-19
Benzaldehyde, 2,4-bis[(3-methyl-2-butenyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2,4-bis[(3-methyl-2-butenyl)oxy]-
- 2,4-bis(3-methylbut-2-enoxy)benzaldehyde
- SCHEMBL11583616
- DTXSID80456723
- 62417-02-1
-
- Inchi： 1S/C17H22O3/c1-13(2)7-9-19-16-6-5-15(12-18)17(11-16)20-10-8-14(3)4/h5-8,11-12H,9-10H2,1-4H3
- InChI Key： WHPLQIKCSLNSBR-UHFFFAOYSA-N
- SMILES： O(C/C=C(\C)/C)C1C=C(C=CC=1C=O)OC/C=C(\C)/C
Computed Properties
- Exact Mass: 274.15696
- Monoisotopic Mass: 274.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 349
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzaldehyde, 2,4-bis[(3-methyl-2-butenyl)oxy]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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2. 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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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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