Cas no 87802-27-5 (2-Pentanone, 4-(1,3-dioxan-2-yl)-4-methyl-)
87802-27-5 structure
Product Name:2-Pentanone, 4-(1,3-dioxan-2-yl)-4-methyl-
CAS No:87802-27-5
MF:C10H18O3
MW:186.248123645782
CID:652222
PubChem ID:71412100
Update Time:2025-04-19
2-Pentanone, 4-(1,3-dioxan-2-yl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 4-(1,3-dioxan-2-yl)-4-methyl-
- 4-(1,3-dioxan-2-yl)-4-methylpentan-2-one
- DTXSID80831672
- 87802-27-5
-
- Inchi： 1S/C10H18O3/c1-8(11)7-10(2,3)9-12-5-4-6-13-9/h9H,4-7H2,1-3H3
- InChI Key： GSDBHGJTOJDOSJ-UHFFFAOYSA-N
- SMILES： O1CCCOC1C(C)(C)CC(C)=O
Computed Properties
- Exact Mass: 186.125594432g/mol
- Monoisotopic Mass: 186.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 181
- 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: 1.1
- Topological Polar Surface Area: 35.5?2
2-Pentanone, 4-(1,3-dioxan-2-yl)-4-methyl- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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