Cas no 74499-47-1 ((3E)-3,7-dimethylocta-3,6-dien-1-yl (2S)-2,3-dimethylbutanoate)
74499-47-1 structure
Product Name:(3E)-3,7-dimethylocta-3,6-dien-1-yl (2S)-2,3-dimethylbutanoate
CAS No:74499-47-1
MF:C15H24O2
MW:236.349864959717
CID:1767925
PubChem ID:20841436
Update Time:2025-04-21
(3E)-3,7-dimethylocta-3,6-dien-1-yl (2S)-2,3-dimethylbutanoate Chemical and Physical Properties
Names and Identifiers
-
- (3E)-3,7-dimethylocta-3,6-dien-1-yl (2S)-2,3-dimethylbutanoate
- [(3E)-3,7-dimethylocta-3,6-dienyl] (2S)-2,3-dimethylbutanoate
- 74499-47-1
- HDDGPCOWVQMEKL-RIYZIHGNSA-N
- DTXSID60888442
-
- Inchi： 1S/C15H24O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7-8,11H,6,9-10H2,1-5H3/b14-8+
- InChI Key： HDDGPCOWVQMEKL-RIYZIHGNSA-N
- SMILES： O(C(/C=C(\C)/C)=O)CC/C(/C)=C/C/C=C(\C)/C
Computed Properties
- Exact Mass: 236.177630004g/mol
- Monoisotopic Mass: 236.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 26.3?2
(3E)-3,7-dimethylocta-3,6-dien-1-yl (2S)-2,3-dimethylbutanoate Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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2. 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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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